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A MODELLING STUDY OF FILTRATION
MECHANISMS FOR MICRON-PARTICLES
FILTRATION IN FIBROUS DIESEL
PARTICULATE FILTERS
Deyi Kong
IF80 Master of Philosophy
Submitted in fulfilment of the requirements for the degree of Master of Philosophy (Research)
School of Chemistry, Physics and Mechanical Engineering Science and Engineering Faculty
Queensland University of Technology
2019
A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate Filters i
Keywords
smog, diesel particulate matter, fibrous filter, lattice Boltzmann method,
discrete element method, porosity, particle deposition, pressure drop
ii A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate
Filters
Abstract
This thesis aims to discover the filtration mechanism inside a fibrous
diesel particulate filter (DPF), as the mechanism of small particles’ filtration is
still not fully understood. A diesel exhaust has a particle size less than 10 µm;
for the visualisation of micron-particles’ motion, the numerical method is
applied. A coupled lattice Boltzmann method (LBM) and discrete element
method (DEM) is implemented to investigate the mechanism that governs
particle-gas flows and particle fouling in idealised 2D fibrous DPFs. The open-
source library, Mechsys, is validated and then implemented for idealised filter
configurations. The initial parameters of simulations are filter configurations,
initial velocities of fluid, density of the particles, porosity of the filters, with the
particle diameter being 10 µm. These results consider the numbers of particle
deposition, filtration time, pressure drop, and location of particle deposition.
The results have shown that the different filter configurations have different
filtration performances for different velocities or densities. The filters of 75%
porosity have better than 90% porosity filtration performance for 10 µm
particles. This study has demonstrated the capabilities of a coupled LBM-DEM
model for filtration. The development of the numerical methods of this research
will thus allow for optimisation in fibrous DPFs. Furthermore, the proposed
model can be extended to smaller particles. This will ultimately contribute to
reducing the emission of toxic particles in the atmosphere, thus improves the
quality of human life.
A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate Filters iii
Table of Contents
Keywords ................................................................................................................... i
Abstract .................................................................................................................... ii
Table of Contents .................................................................................................... iii
List of Figures ........................................................................................................... v
List of Tables .......................................................................................................... vii
List of Abbreviations .............................................................................................. viii
List of Symbols ......................................................................................................... x
Statement of Original Authorship ........................................................................... xiii
Acknowledgements ................................................................................................ xiv
Chapter 1: Introduction ................................................................................. 1
1.1 Objectives ........................................................................................................... 5
Chapter 2: Literature Review ........................................................................ 7
2.1 Engines and Emissions ....................................................................................... 7 2.1.1 Different Types of Engines ...................................................................... 7 2.1.2 Diesel Engines ........................................................................................ 9 2.1.3 Diesel Particulate Matter (DPM) ............................................................ 10 2.1.4 Other Emission of Diesel Engines (CO2, H2O, NOx, SO2, CO, HCs) ...... 12
2.2 Diesel Particulate Filter (DPF) ........................................................................... 13 2.2.1 Commercial DPF .................................................................................. 13 2.2.2 Disposable Filters ................................................................................. 14
2.3 Theory of Gas-particle Flow and Filtration ......................................................... 14 2.3.1 Filtration Mechanisms ........................................................................... 14 2.3.2 Particle Adhesion in Filters.................................................................... 17
2.4 Numerical Modelling ......................................................................................... 18 2.4.1 Conventional CFD Method .................................................................... 19 2.4.2 LBM Approach ...................................................................................... 21 2.4.3 Discrete Element Method (DEM)........................................................... 24 2.4.4 Coupling of DEM and LBM.................................................................... 25
2.5 Research Gaps ................................................................................................. 28
Chapter 3: Research Methodology ............................................................. 29
3.1 Research Steps ................................................................................................ 29
3.2 Rational of LBM-DEM in Mechsys ..................................................................... 31 3.2.1 Theory of LBM Model in Mechsys ......................................................... 32 3.2.2 Theory of DEM Model in Mechsys ........................................................ 34 3.2.3 Theory of Coupling LBM-DEM Model in Mechsys ................................. 35
3.3 Configuration Set-up in Mechsys ...................................................................... 37
3.4 Post-processing ................................................................................................ 38
Chapter 4: Validation of LBM-DEM model ................................................. 41
4.1 Validation of LBM, Flow Around a Cylinder ....................................................... 41
iv A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate
Filters
4.2 Validation of DEM Code of Mechsys ................................................................ 46 4.2.1 Two-sphere Collision of DEM Simulation .............................................. 46 4.2.2 Sphere Rebounding of DEM Simulation ............................................... 48
4.3 LBM-DEM Validation ........................................................................................ 51
4.4 Particle-laden Air Flow in a Clear Channel ....................................................... 57
4.5 Compare FVM-DEM and LBM-DEM results for Air Flow over 6 circular Obstacles ............................................................................................................... 61
4.6 Summary of Mechsys Validation ....................................................................... 63
Chapter 5: Results and Discussion ............................................................ 65
5.1 Computational Domains for Different Filter Designs ......................................... 65
5.2 Catalogue & Design of Simulation Groups, for Comparison .............................. 67
5.3 Filtration Effect of 10 µm Particles Flow Through Filters of 90% Porosity ......... 68 5.3.1 Simulation of Group 1, Comparison and Selection of 6 Designs ........... 68 5.3.2 Investigation and Comparison of Filtering with Same Density but
Different Velocities ............................................................................... 72 5.3.3 Investigation and Comparison of Filtering with Same Velocity but
Different Densities ................................................................................ 74 5.3.4 Comparison of Filtering for Different Filter Configurations (A, D, E)
with Different Initial Parameters ............................................................ 76
5.4 Summarise and Analyse the Simulation Results of the Filter with 90% Porosity 79
5.5 Filtration Effect of 10 µm Particles Flow Through Filters of 75% Porosity ......... 80
5.6 Compare the Simulation Results between Φ=75% & Φ=90% ........................... 80
Chapter 6: Conclusions .............................................................................. 83
Bibliography ................................................................................................ 85
A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate Filters v
List of Figures
Figure 1: Diesel Particulate Size Distribution .............................................. 11
Figure 2: Four basic processes of filtration ................................................. 16
Figure 3: Filtration mechanism of electrostatic attraction ............................ 16
Figure 4: 2D case (D2Q9) ........................................................................... 22
Figure 5: Illustrations of Particle-solid relationship of Hertzian model ......... 24
Figure 6: The coupling procedure of DEM-LBM .......................................... 26
Figure 7: DEM-LBM coupling system .......................................................... 27
Figure 8: LB discretisation and D2Q9 model of Mechsys ........................... 33
Figure 9: Geometry of the computed domain .............................................. 41
Figure 10: Measurements of Geometry of Vortex street when Re<40 ........ 42
Figure 11: Visualisation of LBM for Low Reynolds Number vortex, a. Re=20, b. Re=40 ...................................................................... 42
Figure 12: Results of Strouhal number of Reynolds number from 100 to 1000, experiment: Coutanceau (1977); PISOFoam: Manueco et al., (2016); IB: Manueco et al., (2016) .................. 45
Figure 13: Free fall of a single particle ........................................................ 49
Figure 14: HSD-A, en=0.7, Particle Centre PSosition .................................. 49
Figure 15: HSD-A Model, en=0.7, Compare Mechsys Result with Caserta et al. (2016) Results of Particle Centre Position h, .............................................................................................. 51
Figure 16: 6 mm Teflon sphere bouncing motion in the air, h-t function, for the experiment, at the first impact Re=210, St=7.8×104, and 𝒆=0.8 ............................................................. 53
Figure 17: 6 mm Teflon sphere bouncing motion in the air, u-t function, for the experiment, at the first impact Re=210, St=7.8×104, and 𝒆=0.8 ............................................................. 54
Figure 18: 3 mm steel sphere bouncing motion in silicon oil RV10, h-t function, for the experiment, at the first impact Re=82, St=152, and 𝒆=0.78 .................................................................. 55
Figure 19: 3 mm steel sphere bouncing motion in silicon oil RV, 10 u-t function, for the experiment, at the first impact Re=82, St=152, and 𝒆=0.78 .................................................................. 56
Figure 20: Particle deposition and velocity flow field of 350 µm particles, a. FVM-DEM, b. LBM-DEM ....................................... 59
Figure 21: Deposition of 500 µm particles and velocity flow field, a. FVM-DEM, b. LBM-DEM .......................................................... 60
vi A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate
Filters
Figure 22: Deposition of 50 µm particles, a. FVM-DEM, b. LBM-DEM, c. LBM-DEM (current study) ..................................................... 63
Figure 23: 90% porosity of 6 different configuration of filters and 75% porosity of 3 different configurations of filters ........................... 66
Figure 24: Comparison for endings of simulations in 6 configurations, Φ=90%, v=0.1 m/s, ρ=2500 kg/m3 ........................................... 69
Figure 25: Summary of simulations group 1, number of particle filtration at different time, Φ=90%, 10 µm particles, v=0.1 m/s, ρ=2500 kg/m3 ................................................................... 71
Figure 26: Relationship between pressure drop and filtration fraction, Φ=90%, 10 µm particles, v=0.1 m/s, ρ=2500 kg/m3 ................. 72
Figure 27: Relationship between pressure drop and filtration fraction, Φ=90%, 10 µm particles, ρ=2500 kg/m3 (heavy), v=0.1 m/s (fast) or v=0.05 m/s (slow) ................................................. 73
Figure 28: Relationship between pressure drop and filtration fraction, Φ=90%, 10 µm particles, ρ=800 kg/m3 (light), v=0.1 m/s (fast) or v=0.05 m/s (slow) ....................................................... 74
Figure 29: Relationship between pressure drop and filtration fraction, Φ=90%, 10 µm particles, v=0.1 m/s (fast), ρ=800 kg/m3 (light) or ρ=2500 kg/m3 (heavy) ................................................ 75
Figure 30: Relationship between pressure drop and filtration fraction, Φ=90%, 10 µm particles, v=0.1 m/s (fast), ρ=800 kg/m3 (light) or ρ=2500 kg/m3 (heavy) ................................................ 76
Figure 31: Comparing the simulation results in each configuration, Φ=90%, 10 µm particles, v=0.1 m/s (fast) or v=0.05 m/s (slow), ρ=800 kg/m3 (light) or ρ=2500 kg/m3 (heavy) ............... 78
Figure 32: Simulation results of Φ=75% configurations, v=0.05 m/s, ρ=800 kg/m3, a, configuration A, b, configuration D, c, configuration E ......................................................................... 80
A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate Filters vii
List of Tables
Table 1: AQI pollutant gases and particulate matter & key emissions of diesel engines ........................................................................2
Table 2: LBM simulation results .................................................................. 42
Table 3: To compare simulation results of dimensions’ ratio ...................... 43
Table 4: Strouhal number analysis .............................................................. 44
Table 5: Mechsys simulation results of particle-collisions ........................... 47
Table 6: Particle Collision studies with different velocity and particle size ........................................................................................... 48
Table 7: Mechsys Results of The Real Time and Particle Centre Position (h) ............................................................................... 50
Table 8: Compare FVM-DEM and LBM-DEM results for 350 µm particles .................................................................................... 58
Table 9: Compare FVM-DEM and LBM-DEM results for 500 µm particles .................................................................................... 60
Table 10: Summary of results for 50 µm particles ....................................... 62
Table 11: Catalogue & design of simulation groups, for comparison of filtration effect by using different initial parameters ................... 67
Table 12: Results of 75% porosity simulations ........................................... 81
viii A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate
Filters
List of Abbreviations
AQI: air quality index
BGK: Bhatnagar-Gross-Krook
CE: combustion engine
CFD: computational fluid dynamics
CI: compression ignition
D2Q9: 2-dimension, 9 potential moves
DEM: discrete element method
DPF: diesel particulate filters
DPM: diesel particulate matter
ECE: external combustion engine
EGR: exhaust gas recirculation
EU: European Union
FVM: finite-volume method
HPCR: high-pressure common-rail
IARC: International Agency for Research on Cancer
ICE: internal combustion engine
LBM: lattice Boltzmann method
LBM-DEM: lattice Boltzmann method and discrete element method
NS: Navier-Stokes
PM: particulate matter
PM0.1: paticulate matter diameter less than 0.1 µm
PM10: particulate matter diameter less than 10 µm
PM2.5: particulate matter diameter less than 2.5 µm
PN: particulate number
A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate Filters ix
Re: Reynolds number
SI: spark ignition
St: Strouhal number
x A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate
Filters
List of Symbols
English Symbols:
𝐴: contact area
𝐴𝑣: van der Waals energy of ashesion
𝐵: weight function
𝐶𝑑: drag coefficient
𝐶𝑖: lattice velocity
𝐶𝑠: speed of sound
𝐶𝑣𝑖𝑟: virtual mass factor
𝐷: diameter of the cylinder
𝑑𝑝: particle diameter
𝑑𝑡: dimensionless time step
𝑑𝑥: dimensionless lattice size
𝐸𝑑: dissipated energy
𝐸𝑒: elastic energy
𝐸𝑘1: kinetic energy
𝐸𝑘2: rebounds energy
𝑒𝑖: real velocity
��: additional force term
𝐹𝑖,𝑏: summarised other body force
𝐹𝑖,𝑓: force that the surrounding fluid phase may exert on the particles
𝐹𝑖,𝑛: normal particle-particle contact force
𝐹𝑖,𝑡: tangential particle-particle contact force
𝐹𝑛𝑐𝑜ℎ𝑒: normal cohesive force
𝐹𝑛𝑐𝑜𝑛𝑡: normal contact force
𝐹𝑡𝑐𝑜ℎ𝑒: tangent cohesive force
𝐹𝑡𝑐𝑜𝑛𝑡: tangent contact force
𝑓: represents body accelerations acting on the continuum
𝑓𝑖𝑒𝑞
: equilibrium distribution
𝐼𝑖𝑑𝜔𝑖
𝑑𝑡: moment of particles
A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate Filters xi
𝐾𝑛: normal stiffness constant
𝐾𝑡: tangent stiffness constant
𝑘: collision parameter
𝑀𝑛𝑐𝑜ℎ𝑒: normal elastic modulus
𝑀𝑡𝑐𝑜ℎ𝑒: tangent elastic modulus
𝑚𝑖: mass of particles
𝑛: unit vector of normal direction
P: pressure
𝑝: momentum
𝑅: length between particle and surface
𝑟𝑖,𝑐: radius of particles
𝑇𝑖,𝑟: additional torque on the particle
t: time
𝑡: unit vector of tangent direction
𝑇: torque of particles
𝑢𝑝 : particle velocity
��: flow velocity
𝑈: velocity of fluid flows through the cylinder
𝑣𝑐: critical velocity for rebound
𝑣𝑝: solid velocity at position x
��𝑖: linear acceleration of particles
𝑥𝑐𝑚: the mass centre of the DEM particle
𝑥𝑛: the position of cell
𝑍: length of surface
Greek Symbols:
𝛾: coefficient of bounce-back
∆𝑙𝑛: normal overlapping lengths
∆𝑙𝑡: tangent overlapping lengths
∆𝑡: time step
∆𝑥: lattice size
𝜀𝑛: normal strains
𝜀𝑡: tangent strains
xii A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate
Filters
𝜇: dynamic viscosity of fluid
𝜇f: friction coefficient
𝜗: kinematic viscosity
𝜌𝑎: density of air
𝜌𝑝: particle density
𝜏𝑟: particle relaxation time
Φ: porosity
𝜔𝑖: lattice weights
Ω𝑖𝑠: fluid-solid interaction term
Subscript:
𝑎: air
𝑏: body
𝑓: fluid phase
f: friction
𝑖: direction of movement
𝑛: normal
𝑝: particle
𝑡: tangential
Superscript:
𝑒𝑞: equilibrium
𝑐𝑜ℎ𝑒: cohesive
𝑐𝑜𝑛𝑡: contact
Other Symbols:
∇: divergence
𝜕��
𝜕𝑡: convective derivative
A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate Filters xiii
Statement of Original Authorship
The work contained in this thesis has not been previously submitted to
meet requirements for an award at this or any other higher education
institution. To the best of my knowledge and belief, the thesis contains no
material previously published or written by another person except where due
reference is made.
Signature:
Date: April 2019
QUT Verified Signature
xiv A Modelling Study of Filtration Mechanisms for Micron-particles Filtration in Fibrous Diesel Particulate
Filters
Acknowledgements
I want to acknowledge the continuous support and encouragement from
my supervisory team, Emilie Sauret, Willem Dekkers, and Thomas Rainey,
during the period of this research; to Sahan Kuruneru and Christopher Soriano
From for their advice on theory and technical support; to Sergio Galindo-Torres
and Pei Zhang for their development of numerical tools and shearing the
templates; to Chun Huei Fan and Pei Wang for their advice on installation of
Linux software and C++ programming; and to Wei Li for his advice on how to
analyse the flow field and particle movement.
I would like to acknowledge the following groups, group members or
staff: LAMSES group, QUT library, the School of Chemistry, Physics and
Mechanical Engineering, and Queensland University of Technology. I also
acknowledge the services of professional editor, Diane Kolomeitz, who
provided copyediting and proofreading services, according to the guidelines
laid out in the university-endorsed national ‘Guidelines for Editing Research
Theses’.
Last but not least, I thank my family, as I would not have been able to
complete this research without their financial and emotional support.
Chapter 1: Introduction 1
Chapter 1: Introduction
Environmental problems resulting from human activity are a worldwide issue.
In particular, air pollution is a major environmental problem in the 21st century.
Rapid industrialisation in developing countries, such as mainland China, has
resulted in increases in the severity of air pollution to such an extent that it is
now of worldwide concern (Shi, Wang, Chen, & Huisingh, 2016). For example,
from October 2016 to January 2017, heavy smog was recorded over Beijing
and other major cities in China, and the air quality index (AQI) was at Level 5
or 6 (primary pollutant is PM2.5, (particulate matter less than 2.5 µm)), (Data
centre, MEP of PRC, 2017). An air quality of Level 5 is defined as an AQI
between 201 and 300, where the health implications are that “healthy people
will be noticeably affected; people with breathing or heart problems will
experience reduced endurance in activities; these individuals and elders
should remain indoors and restrict activities”; Level 6 is defined as an AQI
higher than 300, where the health implications are that “healthy people will
experience reduced endurance in activities; there may be strong irritations and
symptoms that may trigger other illnesses; elders and the sick should remain
indoors and avoid exercise; healthy individuals should avoid outdoor activities”
(MEP of PRC, 2012).
There are several different methods for evaluating AQI, such as the pollutant
standards index (Singapore) or air pollution banding (United Kingdom).
Although there are several different standards to evaluate AQI, most are based
on measuring the concentration of pollutants, shown in Table 1 (Jassim, &
Coskuner, 2017; & Perlmutt, & Cromar, 2015).
The primary sources of pollutants are industrial and motor vehicle exhausts,
where the pollutants are generated as a by-product of burning fossil fuels to
generate energy (Lei, Zhang, Nielsen, & He, 2011). Modern economies are
sustained by significant energy consumption and still require increased energy
consumption in order to grow. Currently, the energy consumed is primarily
generated by burning fossil fuels (IEA, 2015). Historically, world energy
2 Chapter 1: Introduction
demand has increased with time; for example, from 1971 to 2013, energy
demand has kept increasing and the majority of energy has been produced
from fossil fuels (IEA, 2015). Crude oil is the most important fossil fuel,
producing various liquid fuels such as petroleum, diesel and heavy fuel oil.
Diesel plays a significant role in economic development where it is used in
transportation (most heavy-duty vehicles use diesel engines) and some types
of marine engines as well as diesel generators.
Generally, the emissions of diesel engines include similar components to other
industrial sources contributing to air pollution. For diesel engines, key
emissions are shown in Table 1. Diesel engine exhausts thus contribute to AQI
measurements of CO, SO2, NOX (NO and NO2), and PM pollutants, where
incomplete combustion of the fuel results in the emission of CO and HCs as
unburnt fuel. Furthermore, hazardous emission of SO2 depends on the quality
of diesel, where low sulphur diesel will produce lower SO2.
Table 1: AQI pollutant gases and particulate matter & key emissions of
diesel engines (Jassim, & Coskuner, 2017; Perlmutt, & Cromar, 2015;
Plaia, & Ruggieri, 2011 & 2010; Jarauta-Bragulat, Hervada-Sala, &
Egozcue, 2016 &2015; Kurnia et al., 2014; Beatty et al., 2011)
AQI measuring (Pollutant gases & Particulate matter)
Pollutants gases CO, SO2, NO2, O3
Particulate matters PM10, PM2.5,
Key emissions of diesel engines
Greenhouse gas CO2
Hazardous gases CO, HCs, SO2, NOx,
Particulate matter PM10 to PM0.1
Diesel engine exhaust contains particles of different sizes, and these particles
vary in their physico-chemical composition. If these physico-chemical
compositions cannot be cleaned by the environment itself, this will cause
serious environmental impacts, such as heavy smog, photochemical smog or
acid rain. These environmental impacts would, in turn, cause various health
Chapter 1: Introduction 3
problems. There are many scientific studies that have mentioned that soot or
PM has serious health effects, for example, higher risk of asthma, higher risk
of respiratory system diseases, decreased lung function in children, and a
higher risk of lung cancer (WHO, 2013). According to the International Agency
for Research on Cancer’s (IARC) research in 2012, diesel exhaust is a group
1 carcinogen. It appears that PM is causing smog and smog in turn is causing
health problems. Nanoparticles are very small, so they can pass almost
unheeded into the lungs and thence even into the circulatory system (Twigg,
2007). The health issues related to diesel exhaust are of worldwide concern,
particularly issues related to the emission of nanoparticles (Bensaid,
Marchisio, Russo, & Fino, 2009).
Current research aims to reduce the environmental impact of vehicles and
industry by controlling emissions. Optimisation of diesel engines, especially
the exhaust filtration system used to remove diesel particulate matter (DPM),
is imperative. Currently, most diesel particulate filters (DPF) used in modern
diesel engines have a very high filtration efficiency of removal PM10, and good
efficiency of removal PM2.5, but limited efficiency of removal PM0.1 (WHO,
2013). While PM10 and PM2.5 have high particulate mass concentration, PM0.1
has a high particulate number (PN), representing a small mass made up of a
very large number of very small particles. Further technical development is
needed to solve the problem of how to remove PM0.1 from exhaust emissions.
Current applications and experiments are able to measure particle
concentration, but the study of filtration mechanisms is limited because the
observation of particle movement inside the DPF is very difficult.
Regulations such as the emission standard Euro 5 (EU Emission Standards,
2007) provide a requirement that auto manufacturers control both PM and PN.
PM2.5 and PM0.1 are the most hazardous PM. It is known that diesel emissions
have DPM from PM10 to PM0.1 (Ristovski et al., 2012, & Rahimi Kord Sofla,
2015). Current DPFs must meet the emission standards which can remove
most of PM, but to reduce PN, further research is needed to develop a method
that can control PM10 to PM0.1 as well as PN. Usually, the commercial DPFs
can remove more than 85% PM by measuring total mass of particles, in some
4 Chapter 1: Introduction
condition the efficiency of removal is around 99% (Park, Nguyen, Kim, & Lee,
2014). Removal of these tiny particles, especially PM0.1 is important to meet
the requirements of new emission standards such as Euro 6, and thus to avoid
negative health impacts from diesel emissions. However, the smaller particles
are difficult to remove.
Another PhD student from QUT, Rahimi Kord Sofla (2015), conducted
experimental research in this area. There are limitations to experimental
studies of diesel exhaust filtration to date, and none observe the filtration
mechanism of the filter materials.
• It is very time-consuming to produce filters with a wide-range of
geometries and pore structures.
• Due to the small size of the particles, it is impractical to observe their
motion and entrapment within a filter medium.
• Experimental research does not elucidate mechanisms for
agglomeration and entrapment.
• Most engine facilities are limited in the duration of experiments and so
it is impractical to measure how the filter blocks over time (loading) and
pressure drop (i.e. backpressure) increases.
There are some numerical treatments of particle transport, for example, using
the finite-volume method (FVM) solving Navier-Stokes (NS) equations,
coupled with the discrete element method (DEM). FVM-DEM is a conventional
method to study the particle transport in fluid flows. Another option is using
Lattice Boltzmann methods (LBM), which can simulate gas flow but does not
use the conventional method. The Boltzmann equation is a mesoscopic
description to simulate the fluid with streaming and collision (Suzuki & Senba,
2010). It is suitable to simulate the fluid flows through the porous media. For
the particle movement, DEM can compute a large number of small particles’
movement (Bicanic & Ninad, 2004). Coupling LBM and DEM is another option
to study the particle-fluid flows.
This project will use one method or couple these two methods to model the
filtration process of DPM inside the filter. A computational fluid dynamics (CFD)
Chapter 1: Introduction 5
simulation will be used to study the flow field and particle movement as well as
agglomeration and entrapment mechanisms. The findings will assist in
improving the efficiency of DPFs in removing micron and nanoparticles.
This project studies the filtration process in detail, using numerical methods to
study the mechanism of DPFs and exhaust particles at micrometer and
nanometer scales. Coupled numerical methods will be used to develop
mathematical models, which are suitable for micron or nano-particles.
1.1 Objectives
This research aims to identify the mechanisms of micro-particles filtration in
idealised 2D fibrous filters for diesel engine exhausts through the development
and application of an LBM-DEM model. To achieve this aim, the objectives
are:
▪ To characterise key pore-scale filtration mechanism of micro-particles
by using LBM-DEM model
▪ To apply the model to characterise the effects of particle properties
(diameter, density, velocity) on the filtration process
▪ To elucidate the effect of filter geometry and porosity on the filtration
mechanisms and efficiency
▪ To investigate how the numerical simulations can contribute to the
micron particle filtration process
Chapter 2: Literature Review 7
Chapter 2: Literature Review
This project proposes to use numerical methods to simulate the filtration
progress. This section will study the current literature to discover research
gaps, which highlight the need for appropriate diesel particulate treatments
and numerical simulations. Firstly, the research will provide the detail of diesel
emission, which is required for developing the modeling of emission gasses.
Secondly, it will study the literature on current diesel emission treatments,
especially the exhaust system for reducing particles. Thirdly, it will study
mathematics model which is related to the particle filtration. Lastly, this section
will focus on CFD modeling, which can help researchers solve filtration
problems. When the literature review section is complete, the research gap will
be highlighted. This will help researchers in their future studies.
2.1 Engines and Emissions
2.1.1 Different Types of Engines
There are many types of engine. Heat engines are one category of engine
that is widely used (Cengel, Boles, & Kanoglu, 2011). Combustion engines
are a kind of heat engine, typically used to create motion or convert thermo-
energy to kinetic energy (Cengel et al., 2011). Combustion engines (CE) can
be categorised as three types: internal combustion engines (ICE), external
combustion engines (ECE), and air-breathing combustion engines (ACE)
(Chattopadhyay, 2015; Cengel & Boles, 2015; Jacobs, 2013). CE can convert
heat energy, which is produced by a chemical reaction (combustion), to kinetic
energy (Cengel & Boles, 2015). Currently, most vehicles use gasoline and
diesel engines, which are the typical ICE.
The operation of ICEs has a negative impact on air quality. The combustion
process will produce exhaust (Sher, 1998). ICEs are used widely on vehicles
for controlling the air quality, as most of researchers and governments have
suggested controlling vehicle exhausts (Wang et al., 2016; Perlmutt & Cromar,
8 Chapter 2: Literature Review
2015; Kurnia et al., 2014; Beatty et al., 2011; Sher, 1998). Some studies have
shown that the emissions of ICE include some different physico-chemical
compositions, for example greenhouse gases such as carbon dioxide (CO2),
and hazardous gases such as carbon monoxide (CO), hydrocarbon (HC),
nitrogen oxides (NOx), and particulate matter (PM) (Kurnia et al., 2014; Beatty
et al., 2011; Sher, 1998). To control the emissions of vehicles, governments
have laid down some regulations and standards, because some of the
emissions are harmful to human health; some them are harmful to the
environment, causing global warming and acid rain. It is known, for reduction
of air pollution, the European Union (EU) has enacted Euro1 to Euro6 emission
standards which have many followers. Australia and China are also following
these standards. Based on the Kyoto Protocol, for reduction of greenhouse
gasses, the EU has established a regulation of No 443/2009 (2009) to control
the CO2 emission from vehicles, so exhaust control is an emerging wide
research area.
This research will concentrate on ICE exhaust. ICEs have two major types:
four stroke gasoline engines and diesel engines (Cengel et al., 2011). The
engines may be categorised by considering the different fuels: one is the
gasoline engine, using petrol and the other is the diesel engine, using diesel.
ICE may also be classified in terms of how the fuel is ignited: gasoline engines,
using spark plugs to ignite the fuel which is also called spark-ignition (SI)
engine; diesel engines, using high temperature of compressed air to burn the
fuel, so they are also called compression-ignition (CI) engines. Also, these two
types of engines may be categorised by different thermos-cycles: gasoline
engine powered Otto cycle, diesel engine powered diesel cycle. These two
types of engines also have other differences, such as compression ratio.
Normally, gasoline engines have a compression ratio between 7:1 and 13:1,
but diesel engines have a compression ratio between 15:1 and 24:1 (Cengel
et al., 2011).
Gasoline engines’ exhaust have the following components: nitrogen 70% to
75%, water vapor 10% to 12%, carbon dioxide 10 to 13.5%, hydrogen 0.5 to
2%, oxygen 0.2 to 2%, carbon monoxide: 0.1 to 6%, unburnt hydrocarbons
Chapter 2: Literature Review 9
and partial oxidation products (e.g. aldehydes) 0.5 to 1%, nitrogen monoxide
0.01 to 0.4%, nitrous oxide <100 ppm, sulphur dioxide 15 to 60 ppm, traces of
other compounds such as fuel additives and lubricants, also halogen and
metallic compounds, and other particles (Courtois, Molinier, Pasquereau,
Degobert, & Festy, 1993).
2.1.2 Diesel Engines
Diesel engines are widely used, including in some passenger cars, many
methods of public transportation, most commercial vehicles, most heavy-duty
vehicles, some types of marine engines, and some industrial engines. These
wide applications have shown that diesel engines provide important
development for the economy and society. To date, modern diesel engines are
the most cost-effective internal combustion engine for vehicles and other non-
road engine applications. However, the exhaust of diesel engines also has
some negative impact on human health and the environment.
Most of the current technologies in diesel engines are the emission-controlling
technologies, for compliance with the emission standards as well as protecting
the environment. The idealised combustion of engines can only produce CO2
and H2O, but the real combustion exhausts are complex organic and inorganic
compounds, including gasses, semi-volatile oil, and particulate phases. The
components of diesel emissions are: CO (100-10000 ppm), HC (50-500 ppm),
NOx (30-1000 ppm), SO2 (proportional to fuel sulphur content), DPM (20-200
mg/m3), CO2 (2-12 vol%), ammonia (1.24 mg/km), cyanides (0.62 mg/km),
benzene (3.73 mg/km), toluene (1.24 mg/km), polycyclic aromatic hydrocarbon
(PAH) (0.19 mg/km), aldehydes (0.0 mg/km) (Jelles, 1999 & Tschöke et al.,
2010).
Modern technologies of diesel engines can catalyse or oxidise most of the toxic
and unburnt components. These technologies can be categorised as in-
cylinder control technologies and exhaust after treatment controls.
10 Chapter 2: Literature Review
In-cylinder controls have some implementations, such as turbocharger with
intercooler, exhaust gas recirculation (EGR), high-pressure common-rail
(HPCR) fuel delivery systems. Turbocharger with intercooler can compress
more air into the cylinders, so it could generate more power and decrease the
unburnt components, but the NOx would be increased. EGR is a combustion
control technology for reducing the NOx, but it will reduce the power output and
cause increase in HC, CO, and DPM formation. HPCR can reduce the unburnt
components and the formation of DPM (Bennett, 2015 & Mollenhauer, &
Tschöke, 2010).
There are applications of exhaust gas after treatment controls, such as to use
the catalytic or non-catalytic method to reduce the exhausts or catalyse the
gasses to be vapour and CO2.
2.1.3 Diesel Particulate Matter (DPM)
Many governments and environmental organisations strongly recommend
controlling the particulate matter emissions. It is known that if the particulate
size is smaller than fine particles (PM2.5), these would be very dangerous for
human beings, because they can penetrate the respiratory system (Hamra,
2016 & Ristovski et al., 2003, Morawska et al., 2006). Another effect is when
PM is suspended in the air, it can create smog, acid rain, and a photochemical
environment.
Diesel emission produces PM to the air, and it becomes one of the sources to
produce PM (Ristovski et al., 2012 & Barrios et al., 2014). The literature is full
of references dealing with the distribution of diesel particulate matter. The PM
of diesel exhaust has aerodynamic diameters that can be classified as coarse
particles (PM10) that have an aerodynamic diameter of less than 10 µm, fine
particles (PM2.5), for which the aerodynamic diameter is less than 2.5 µm,
ultrafine particles (PM0.1), for which aerodynamic diameter is less than 0.1 µm
and nanoparticles with aerodynamic diameter less than 50 nm (Ristovski et al.,
2012 & Barrios et al., 2014). Figure 1 shows the distribution size of diesel
Chapter 2: Literature Review 11
particulate matter. From this graph, it is clear that more than 90% of the
number distribution of diesel particulates have sizes of significantly lower than
1000 nm (i.e. 1 µm). For the number distribution, there is only one peak around
0.01 µm, but for the mass distribution, 0.1 µm to 1 µm is the first peak, and
lower than 10 µm (PM10) is the second peak.
Figure 1: Diesel Particulate Size Distribution (Ristovski et al., 2012, &
Rahimi Kord Sofla, 2015)
When analysing the ingredients of DPM, it contains some different chemical
and physical compositions. Some chemical compositions such as sulphate or
HC can be catalysed by convertor or have a chemical reaction with some
emission additives (diesel exhaust fluid) (Twigg, 2007). The other particles,
such as solid carbon or inorganic ash, must be removed by physical filters. For
controlling the particle exhaust, there are two things that have to be
considered: one is the mass of particles, another is the number of particles.
Currently, to control the particle emission by measuring the mass is distinct;
for further studies, to control the number distribution of DPM is required in the
new emission standards, such as Euro 6, CARB and Japanese Emission
Control Standards.
12 Chapter 2: Literature Review
2.1.4 Other Emission of Diesel Engines (CO2, H2O, NOx, SO2, CO,
HCs)
Except for DPM, diesel emissions still have some other gas phase
components. Some of them are toxic; some of them are non-toxic but have
another environmental impact.
CO2 is a major greenhouse gas, which would bring global-warming. Although
it is not a toxic gas, for vehicle emission standards, most of them do not restrict
CO2. Most of the United Nations members have signed the Kyoto Protocol
(1992) for controlling the CO2 emissions.
Vapour (H2O), it is a non-toxic gas which is an idealised output for a chemical
reaction. ICEs burn fuels; the ideal reaction is that O2 totally consumes fuel
and produces H2O and CO2. Vapour could be the only safety emission of fossil
fuels as diesel or petroleum.
NOX is the major emission gas of diesel engines. There are two components
of NOX, NO, and NO2. Air contains 78% of Nitrogen; combustion inside the
cylinder forms NOX. Diesel engines’ combustion needs more air than gasoline
engines, so the concentration of nitrogen and oxygen will be higher than in a
gasoline engine (Bennett, 2015 & Tschöke, 2010). Some researchers have
found out that diesel engines produce around 20 times more NOX than
gasoline engines (Fuller, 2012).
SO2 and other sulphates will cause acid rain and most of these sulphates are
harmful. For several years, the petroleum industry has tried to produce a high
quality and low sulphur content in diesel fuels. To meet the fuel and emission
standards, some developed countries have fully applied low-sulphur diesel
fuels, but there are still some developing countries using substandard diesel
fuels.
Chapter 2: Literature Review 13
CO and HCs are the typical emissions of ICEs, because of the not fully
combusted air and fuels (Tschöke, 2010). These two compounds are toxic and
in the measurement list of AQI. Some of the HCs could be solid phase
(Bennett, 2015).
2.2 Diesel Particulate Filter (DPF)
2.2.1 Commercial DPF
In order to meet increases in emission standards for diesel engines, particulate
filters have become common devices to decrease the discharge of DPM into
the environment. There are several categories of DPFs. The filters may be
categorised by considering different designs: common types are wall-flow
filters and flow-through filters. Filters may also be classified in terms of how
the deposited particulate matter is removed: the removal process is referred to
as regeneration of the filter and may be described as either active regeneration
or passive regeneration. In some types of filtration, the filter material is
disposable, and filter replacement is used instead of a cleaning or regeneration
process.
Currently, most of the commercial DPFs have high filtration efficiency to
remove PM10 and PM2.5, but they have low efficiency in removing PM0.1, Figure
1 shows that, in diesel emission, PM10 and PM2.5 have major mass distribution
but low number distribution. On the other hand, PM0.1, as well as 50 nm and
10 nm particles, has the highest number distribution. One piece of research
shows, removal of 10 µm to 0.7 µm particles the filtration efficiency of PN is
more than 95% in both real road test and laboratory test (Yu et al., 2017).
Based on the Euro 6 emission standard, it requires removing PM0.1, because
it has a very high risk of causing respiratory diseases, such as lung cancer
(Ristovski et al., 2012 & Barrios et al., 2014 & Casati et al., 2007 & WHO,
2013). Current experiments’ commercial applications can measure the
transient difference before and after the DPF, and also the total mass of the
DPF can be measured to investigate the performance of filtration.
14 Chapter 2: Literature Review
2.2.2 Disposable Filters
From Rahimi Kord Sofla’s research (2015), it is shown that disposable filters
(such as filter paper) have a good result for removing DPMs. The filter has
cellulose media, which is a kind of fibrous structure; this fibre and fibrous
structure has the ability to adhere or obstruct the DPMs and the fluid can pass
through the cellulose media. This kind of filter materials is not widely used for
DPFs, but it has some advantages, which are valuable for more intensive
research. For example, the costs of filter paper are obviously lower than
current commercial DPFs; filter paper is disposable, and the replacement of
filter paper is easier than for the other DPFs.
Experimental investigations of filtration processes have some limitations
because the tiny particles are not easy to observe. The deposition processes
that occur inside the filter material are difficult for direct observation by the
human eye. To study the flow through the filter material, and the particulate
deposition processes, CFD modeling can be used to extend the current
understanding of the filtration process beyond what can be achieved by
experimental investigations.
2.3 Theory of Gas-particle Flow and Filtration
2.3.1 Filtration Mechanisms
There are four basic ways filtration media captures particles:
1. Inertial impaction
Inertia works on large (d>1 µm), heavy particles suspended in the flow
stream. These particles are heavier than the fluid surrounding them. As the
fluid changes direction to enter the media space, the particle continues in
a straight line and collides with the media, where it is trapped and held
(Baker, 2011).
Chapter 2: Literature Review 15
2. Diffusion
Diffusion works on the smallest particles (d<0.1 µm). Small particles are
not held in place by the viscous fluid and diffuse within the flow stream. As
the particles traverse the flow stream, they collide with, and are collected
by, filtration media (Baker, 2011).
3. Interception
Direct interception works on particles in the mid-range (d<0.1 µm) size that
are not quite large enough to have inertia and not small enough to diffuse
within the flow stream. These mid-sized particles follow the flow stream as
it bends through the filtration media spaces. Particles are intercepted or
captured when they touch a filtration media (Baker, 2011).
4. Sieving
Sieving, the most common mechanism in filtration, occurs when the particle
is too large to fit on the filtration media. Normally, porous media is the
typical filtration media having a sieving process (Baker, 2011).
All the filtration process is shown in Figure 2.
16 Chapter 2: Literature Review
Figure 2: Four basic processes of filtration (Baker, 2011)
There is another filtration mechanism that can present the relationship
between low mass particles and filter fibre; it is an electrostatic attraction. This
capture process does not favour a certain particle size. When the fiber and
particles have oppositely charged, the fiber can capture the particles. shown
in Figure 3 (Baker, 2011).
Figure 3: Filtration mechanism of electrostatic attraction (Baker, 2011)
Due to the diesel exhaust that included different sizes of particulates, it is
difficult to define the filtration mechanism of different sizes of particulates and
filter materials by experiments. The numerical simulation could be the solution
to study these filtration effects.
Chapter 2: Literature Review 17
2.3.2 Particle Adhesion in Filters
Scientists try to explain filtration mechanisms in physics and mathematics, for
which particle adhesion in filters is one of the basic filtration concepts. This
concept can be explained in a physics and mathematics way, which is relevant
to the energy and forces transform between particles and the filtration media.
Solid particles are held in contact with the filtering surface, be it either fibrous
or porous material, by van der Waals forces (Davies, 1973). Van der Waals
forces can explain the relationship between the tiny objects in a microcosmic
view, such as attraction and repulsions between atoms, molecules, surfaces,
and intermolecular forces (Davies, 1973). Furthermore, some researchers
have found out the capture process between particles and surfaces has the
electrostatic force of adhesion (Davies, 1973). There are many experiments
that have studied adhesion of particles. To summarise those experiments and
literature, the particle capture can be explained in terms of conservation of
energy.
For example, if the particle strikes the surface with kinetic energy, 𝐸𝑘1 and
rebounds with 𝐸𝑘2 then
𝐸𝑘1 + 𝐴𝑣1 = 𝐸𝑒 + 𝐸𝑑 Impact
𝐸𝑒 = 𝐸𝑘2 + 𝐴𝑣2 Rebound
(1)
Where Av is the van der Waals energy of adhesion, Ee is the elastic energy
stored on deformation and Ed is dissipated. The conditions for adhesion are
𝐸𝑘2 = 0
𝑘2𝐸𝑘1 < 𝐴𝑣1 − 𝐴𝑣2 = ∆𝐴𝑣
𝑘2 = (𝐸𝑘1 − 𝐸𝑑)/ 𝐸𝑘1
(2)
and k is the collision parameter.
Other values of force between a particle and a surface are ordinary force and
retarded force: 𝑟 is the radius of particle, 𝑍 is length of surface, 𝑅 is the length
between particle and surface (Davies, 1973).
Ordinary force=1.8×10−13𝑟
𝑍2 (3)
18 Chapter 2: Literature Review
Retarded force=1.7×10−19𝑟
𝑍3
Hence
∆𝐴𝑣 = ∫ (0 + 𝑅)𝑑𝑍∞
𝑍0
(4)
where 𝑍0, the separation at contact, is taken as the thickness of a monolayer
of adsorbed air, it gives
∆𝐴𝑣 = 5.76 × 10−5𝑟𝑘2 × 10−7 𝐽𝑜𝑢𝑙𝑒𝑠 (5)
The critical impact energy between adhesion and rebound is thus
𝐸𝑘1 = 5.76 × 10−12𝑟𝑘−2 =2
3𝜋𝑎3𝜌𝑎𝑣𝑐
2 (6)
which gives
𝑣𝑐 =5.24 × 10−3
𝑘𝑎√𝜌𝑎
(7)
The value of k must depend on the material, a is the particle radius, and vc is
the critical velocity for rebound. Equation 6 shows a smaller particle radius will
create smaller critical impact energy. 𝐸𝑑, dissipated energy is the constant of
the material, so equation 2 will be
𝐸𝑘1 − 𝐸𝑑 < ∆𝐴𝑣 (8)
The particles will have lower rebound effects. As Davies (1973) said, when the
particle diameter is smaller than 0.3 µm, the particles will have more adhesion.
These mathematical models are based on conservation of energy theory. It
implies collisions, bound and rebound of particles, and adhesion of particles
and filters. This is an important theory of filtration. For further research, it would
supplement this project to study the particle movement and establish a logical
CFD model. This will consider the reaction between particles, particle and
surface, particle and filtration materials.
2.4 Numerical Modelling
To study the filtration mechanism, the tiny particles (micron-scale & nanoscale)
are not easy to observe from the experiments, so the numerical method and
Chapter 2: Literature Review 19
CFD simulation could be the solution. All the simulations are based on physics
theory and mathematics approach, so the basic theory has to be prepared
before the modeling process. For example, particle-gas flows of fluid
dynamics, filtration theory and numerical methods are all the preparatory
theory. Then, to study the filtration process, CFD simulation can help people
to study the fluid and particles flowing through the filter. For some conditions
such as inlet and outlet, researchers can study the results from experiments
or theoretical calculation. If people want to study the relationship between
particles and filter in microcosmic view, it is very difficult to observe. This study
must consider the fluid flows, particle movements, and the particle-particle
interaction, particle-wall interaction, as well as particle-filter interaction. Then,
the researcher could select a suitable numerical method and select the
suitable software.
2.4.1 Conventional CFD Method
In terms of conventional CFD method, the most popular one is implementation
of the Navier-Stokes (N-S) equations, which is a typical Eulerian method
(Vasquez, Walters & Walters, 2015). N-S equations are widely used for solving
CFD problems, especially in the commercial software. This method can
compute the fluid motion of viscous fluid substances. The N-S equation of
Eulerian method is a continuous method for the fluid simulation (Liu, van
Wachem, Mudde, Chen, van Ommen, 2016 & Vasquez et al., 2015 & Pilou,
Tsangaris, Neofytou, Housiadas, Drossinos, 2011). Although the conventional
CFD method does not have the ability to solve particle flows, it can be the
governing equation to simulate the carrier fluid (Liu et al., 2016 & Pilou et al.,
2011). There are some pieces of commercial software and open source
software that can be selected for running the simulation.
ANSYS Fluent is a powerful commercial software, which is a piece of
conventional CFD software. To study the fluid flow, the N-S equation is written
as (Andersson, 2015):
20 Chapter 2: Literature Review
𝜌𝜕��
𝜕t+ 𝜌(�� ∙ ∇��) = −𝑝 + 𝜇 ∙ ∇2�� + 𝜌 ∙ 𝑓
(9)
ANSYS Fluent has included multiphase modelling approaches, which are the
Euler-Euler approach and the Euler-Lagrange approach. It shows that the
Euler-Lagrange approach with a discrete phase model (DPM) can achieve
particle tracking, but the DPM has a limitation on particle-particle interaction,
in which the collisions and breakup are indirect (ANSYS Fluent User’s Guide,
2015). Between the continuum and discrete phases, there is an exchange of
momentum, mass and energy (Brikmukhametov, 2016). After 2016, ANSYS
Fluent has the discrete element method (DEM) add-in to enhance the particle
collision. The particle tracking is considered in a Lagrangian reference frame
of ANSYS Fluent. This can integrate the force balance on each particle to
predict the particle movement.
Also, the conventional CFD method must consider mesh sizes for the ANSYS
Fluent, when the particle size smaller than 1 µm would cause a stability issue;
because the mesh size must be much smaller than particle size it is difficult to
generate the small mesh size using Fluent. Another consideration is the
computational domain size, because of the limitation of solving the N-S
equation.
As alternative software, CFDEM could be another option, but it has limited
compatibility in the mesh process (Kuruneru, Sauret, Saha, & Gu, 2016).
OpenFOAM could be another option; it is open source software, and can adjust
the mesh size manually, but the limitation of a conventional CFD method
should be considered as well.
The multiphase flow of the Euler-Lagrange approach is a continuum model, so
the size of computational domain and size of particle are the important
consideration for the selection of a conventional CFD method and software.
Some researchers have coupled a conventional CFD method with DEM to
study particle filtration or deposition (Qian, Huang, Lu, Han, 2014 & Kuruneru
Chapter 2: Literature Review 21
et al., 2016). Qian et al. (2014) have studied a complex mimic structure of
particle filtration; the particle size is 2 µm to 3 µm and the computational
domain is 200 µm × 100 µm × 100 µm. It is a 3D simulation; the results have
only shown the large number of particles’ filtration of a complex fibrous media.
Kuruneru, Sauret, Saha, & Gu., (2017) have studied the particle deposition;
the particle size is 50 µm and the computational domain is 4 mm × 0.6 mm.
This research has studied an idealised structure, but the particle size and
computational domain are too large to compare with DPM filtration.
2.4.2 LBM Approach
The Lattice Boltzmann method (LBM) is a class of CFD method. A brief
summary of some of the relevant concepts in LBM is presented in some
textbooks, in which LBM is the numerical method for the random motion of
particles as a kinetic model. The LBM is a mesoscopic description of the
motion of gas particles using the atomic probability of entropy (Suzuki &
Senba, 2010). For further studies in two phases, fluid and particles, LBM is an
alternative method to solve the multi-phase flow simulation. The further
proposed study is a filtration flow simulation, which will consider small particles
in different sizes as well the gas flow. The LBM-CFD studies offer more
detailed results, including fluid flow, particle transport, particle deposition, and
heat transfer (Wagner, 2008). This is because of the development of LBM,
which is a tool for use instead of the Navier-Stokes equation and simulating
complex fluid with collision models such as Bhatnagar-Gross-Krook (BGK)
flows. The BGK model shows that LBM can be considered as a special
discretised form of the continuous Boltzmann equation (Latt, 2008). The fluid
can be considered as a Newtonian fluid.
Firstly, studying the 2D square case can make clear an understanding for
LBM:
• Streaming steps
Generally, the model can be divided into a nine-square structure. In fact,
each arrow corresponds to a whole set of particles, the so-called particle
22 Chapter 2: Literature Review
populations or particle distribution functions. In the current sketch, the
motion of particles is restricted to nine potential moves. Either a particle
moves to respective neighbouring cells or rests in the current cell,
shown in Figure 4. The following denotes the nine directions that the
particles can move in: C0, C1, and so on, as shown in Figure 4. In C0 to
C8 the scale is such that for a given time in ∆𝑡 the particles
simultaneously move from one cell to a neighboring one. To keep it
simple, it is assumed that the mesh size ∆𝑥 and the time interval ∆𝑡 are
equal to 1. The vectors C0 to C8 are called lattice velocities.
Figure 4: 2D case (D2Q9)
The transport of particle distributions to neighbouring cells is called streaming
step LBM. Basically, this models the convective transport in the fluid flow,
where all distributions are copied to the neighbouring cells. This also fills the
current cell in a new set of distributions.
Let the particles collide locally inside each grid cell so the particle populations
are redistributed. Both mass and momentum need to be concerned during a
collision. If each particle population is denoted with 𝑓0, 𝑓1 as forces up to 𝑓8, it
can compute the mass per grade as rho from the sum of the distributions,
equation 10. There is momentum that arises from the sum of the terms of 𝑓𝑖
times 𝑐𝑖 , equation 11. To model the collision process, the most common
collision model is given by the BGK model. First, it can compute mass and
momentum inside the single grid cell from the distributions that have just
entered. Then, the equilibrium distribution 𝑓𝑒𝑞 is computed. The vector product
Chapter 2: Literature Review 23
used, for example for 𝑐𝑖 and 𝑢 in this formula, corresponds to well-known in a
product. Computing mass and momentum from the equilibrium distributions
returns the same values for O and u, s if we use 𝑓0 to 𝑓8 (equation 12), this is
basically due to a clipper choice of the lattice weights wi. It may just do the
computation by hand to understand what is basically happening and check out
the isotropic structure of the lattice velocities and weights, 𝑤0,2,6,8 = 1/36 ,
𝑤1,3,5,7,=1/9, 𝑤4=4/9, 𝐶𝑠=1/√3,
𝜌 = ∑ 𝑓𝑖𝑖 (10)
𝜌�� = ∑ 𝑓𝑖𝑐𝑖𝑖 (11)
𝑓𝑖𝑒𝑞 = 𝑤𝑖𝜌(1 +
𝑐𝑖 ∙��
𝑐𝑠2 +
(𝑐𝑖 ∙��)2
2𝑐𝑠4 −
��∙��
2𝑐𝑠2) (12)
𝑓𝑖 ∶= 𝑓𝑖 −1
𝜏(𝑓𝑖 − 𝑓𝑖
𝑒𝑞) (𝜏 ∈ (0.5,2)) (13)
where a 𝑢0 is the initial velocity for 𝑢, Re= (inertial force)/ (viscosity force) is the
Reynolds number. The inertial force is computed from 𝑓0, 𝑓0 is computed from
𝑢0. The expression of the equilibrium function can basically derive from LBM
distribution in the low-velocity limit, that means for flow velocities in which 𝑢
are much smaller than the speed of sound (‖��‖ ≪ 𝑐𝑠). Finally, the distribution
𝑓𝑖 towards the equilibrium distribution at a given collision frequency 1/ 𝜏. 𝜏 is
chosen, such that the correct viscosity of the considered fluid is obtained. For
𝜏 =1, the relaxation process is that the distributions 𝑓𝑖 exactly to the
corresponding counterparts 𝑓𝑒𝑞 of the equilibrium distribution (equation 13).
That means the BGK model basically pushes all distributions 𝑓𝑖 towards to the
equilibrium state. Due to the numerical stability 𝜏 needs to be in the range 0.5
to 2.0.
It shows LBM has the better viscosity performance than N-S equations, so it
can be the carrier fluid for particles. LBM is a grid-based method, and the
model of LB equations is totally suitable for energy conservation and
momentum conservation; it can simulate the microscopic flows and complex
porous media to make sure simulations of the microscopic view are united with
the whole domain. All the equations are based on kinetic theory. LBM has
24 Chapter 2: Literature Review
some limitations. It is not suitable for high-Mach-number flows, nor is it suitable
for highly compressible fluid.
2.4.3 Discrete Element Method (DEM)
DEM is a numerical method to compute the motion and effect of a large
number of small particles, and it is a well-established method for particle-
particle systems (Leonardi, Wittel, Mendoza, & Herrmann, 2014). Also, DEM
is a finite size particle method, so the characteristics of each particle, such as
shape and size, have to be considered. The relationship of particles is based
on Newton’s second law, as shown in Figure 5.
Figure 5: Illustrations of Particle-solid relationship of Hertzian model (Qian
et al., 2014)
Between the particles, each two particles have interactions in tangential
direction and normal direction; this is based on the Hertzian model, shown in
Figure 5. The DEM can be applied for granular and discontinuous flows. The
DEM approach can only simulate the particles’ motion, so selecting the DEM
code must consider coupling with a fluid flow code.
The limitations of DEM are that it is difficult to develop a suitable carrier bed;
particles conditions have to be considered clearly. For these reasons,
sometimes coupling DEM and a conventional CFD method (NS) together is a
Chapter 2: Literature Review 25
choice in solving the particle-fluid flows, because DEM is an efficient tool in
modelling and tracking the particle phase.
2.4.4 Coupling of DEM and LBM
It is known that to simulate both the gas and particle dynamics of the transport
and filtration process, it is necessary to employ some methods in coupling
strategy. Both DEM and LBM have limitations that are the complement of
relation. Many researchers used this method to simulate particle-gas flows.
Coupling of DEM and LBM will be proved to be a powerful numerical tool in
both qualitative description and qualitative analysis in particle-fluid flows (Han
& Cundall, 2016 & 2013). The wide implementation of DEM is particle flow
code (PFC). Some researchers coupled PFC and LBM to run the simulation
(Han & Cundall, 2016 & 2013). Coupling these two methods is going to
simulate the cases that are close to the real phenomenon. Comparing this
research topic with others’ research, coupling DEM and LBM is suitable for this
research.
The coupling procedure is as follows: at each time step, the equations of
motion for DEM particles are first solved by obtaining the particle positions and
velocities; this enables the state of each LBM cell to be determined; the LBM
calculation is then carried out to yield the fluid velocity and pressure fields,
from which the drag forces acting on particles can then be computed (Figure
6); the forces acting on particles and each fluid cell are used to update the
positions and velocities of particles at the next time step. This procedure is
repeated until a specified time step is reached (Xue et al., 2015). The current
study of this implementation is to simulate the interaction between particles
and fluid.
26 Chapter 2: Literature Review
Figure 6: The coupling procedure of DEM-LBM (Xue et al., 2015)
Furthermore, another coupling concept is present by Han and Cundall (2016),
when in the equation of motion, Fi is the sum of all the external forces, which
is acting on the particle, so it is a vector of resultant force; m is total mass of
the particle; 𝑥�� is the vector of acceleration; g is gravity. Mi is the resultant
moment acting on the particle; 𝐼 is the inertial moment of the particle; 𝜃�� is the
rotation acceleration. In the force-displacement equation, 𝐹 𝑖𝑛 is the normal
component vector of the contact force; Kn is the secant normal stiffness; Un is
the normal component vector of the displacement; ∆𝐹𝑖𝑠 is the incremental
shear component vector of the contact force; Ks is the tangential shear
stiffness; ∆𝑈𝑖𝑠 is the incremental shear component vector of the displacement.
Note stiffness properties (i.e., Ks and Kn) are not necessarily constants, e.g.,
in the Hertz-Mindlin model, they are dependent of particle radii, contact force
and other material properties (Itasca Consulting Group, 2008). In each
computational loop, Newton’s second law is solved at all the contacts. Then,
the additional forces need to be applied on this step. The additional forces are
the fluid forces. The two methods coupled with fluid forces are applied on
particles and then modifiy the collision, which is based on the time steps,
shown in Figure 7 (Han & Cundall, 2016). This implementation of LBM-DEM is
prepared for the particle flow through a complex porous media.
Chapter 2: Literature Review 27
Figure 7: DEM-LBM coupling system (Han & Cundall, 2016)
Another option is an open-source programming library, Mechsys (Galindo-
Torres, 2013). The coupling method is based on the immersed boundary (IB)
method introduced by Owen and Feng (2007), which uses LBM to solve the
Navier-Stoke equation and the IB method to couple the DEM particles and
carrier fluid. Owen’s method has only considered the spherical particles;
Galindo-Torres has extended Owen’s method by using the sphero-polyhedron
technique. Mechsys is able to simulate complex particles and complex porous
media. For these reasons, the complex structure and carrier fluid can be
simulated by using Mechsys. It seems that Mechsys could be the powerful tool
to study the filtration effect.
Han & Cundall, (2013 & 2016) have used the LBM-DEM method to study the
interaction of particles and porous media; the particle size is 1 mm, so it is not
a filtration study. Zhou et al. (2018) have studied the micron particle flow
through a complex porous media, the concentration is on particle suspension
flow and permeability impairment, the model being close to the filtration
studies. Mino, Sakai, & Matsuyama (2018) have studied a filtration case, which
is the particle flows passing through a single pore of membrane. In all the
studies shown, coupling of LBM and DEM is able to simulate DPM filtrations,
in which the conditions include micron particle motions, particle-fluid
interactions, complex porous media, and particle filtration.
28 Chapter 2: Literature Review
For studing the particle filtration phenomenon, the software should have the
ability to simulate the large number of particles, complex porous media and
carrier fluid. LBM can study the fluid flow through the micron scale, and DEM
can study the large number of particles’ movement. Mechsys coupled these
two methods and gives a solution to simulate complex porous media, so
Mechsys should be the option.
2.5 Research Gaps
There are some research gaps relevant to this study that remain uncovered by
the literature review.
1. For micron scale particle motion there are a limited number of previous
studies investigating the coupling of LBM-DEM methods, particularly
studies focused on filtration of diesel particulate emissions.
2. Experiments are not capable of capturing the mechanism of particle
deposition inside a filter medium.
3. There are considerable uncertainties about the effects of particle
properties (e.g. size and density), fluid velocities and filter geometry (e.g.
fibre size, orientation and porosity) on the filtration effectiveness.
4. Number of filtered particles, location of particle gathering, pressure drop,
and filtration time are considered to quantify the filtration ability.
Chapter 3: Research Methodology 29
Chapter 3: Research Methodology
The increase of diesel engine applications makes the public and researchers
consider the way to control and limit the emissions from those applications, in
particular particulate matters that are responsible for cancer. From the
research gaps and objectives, this project is going to use an advanced
numerical method to study the relationship between microparticles and fibrous
filters. This research will use Mechsys open source code (Galindo-Torres,
2015; Galindo-Torres, 2013), which has already coupled LBM and DEM
methods, then analyse particle-laden flows through different configurations of
fibrous filters. This methodology will support the characterisation of the effects
of particle properties (diameter, density, velocity) on the filtration process and
understanding and identifying the key characteristics of the filters (geometry,
porosity) that affect the filtration mechanisms and efficiency of idealised 2D
fibrous filters. The research will only focus on two-dimensional (2D) cases as
it can accurately simulate the cross section of fibrous filters and, more
importantly, significantly reduce the computational cost of each simulation.
3.1 Research Steps
Based on the literature review, the assumption of this research is that the
fibrous filters (disposable DPFs) can assist current diesel exhaust systems to
control and limit the emission of particulate matters and thus reduce negative
environmental and health problems (Ristovski et al., 2012, & Rahimi Kord
Sofla, 2015). An effective way to assess the validity and performance of such
filters is to use advanced numerical modelling to study the gas and
microparticles flow. In this research, an LBM-DEM approach is deployed to
study micron particles filtration. The innovation of this research lies in the
simulation results obtained. In particular, some researchers applied LBM-DEM
to study particles’ transport or particles’ movement through a porous media,
also the studies of particles or porous media were larger than micron scale, no
one has ever used LBM-DEM to study micron particles filtration. Due to the
30 Chapter 3: Research Methodology
limited research time and computational costs, this research will focus on 10
µm particles only, for developing and validating the model.
The following steps are required to conduct this research:
1. To identify a robust numerical model that is appropriate for microscale
particles and fluid simulations. An appropriate numerical model was
selected for simulating the movement of microparticles and investigating
the influence of a carrier fluid. Mechsys was chosen as a solver for
coupling LBM and DEM methods. To validate the numerical methods of
gas-particle flow. The LBM-DEM method uses the LB method to solve
the N-S equations to study fluid flows and uses DEM to study particle
movement (Galindo-Torres, 2013). This step is to initialize all the
research, which is to develop and setup the model or configuration of
the simulation.
2. To implement and validate the LBM-DEM approach on 2D clear channel,
which is based on particle-laden laminar flows. Also, to compare the
simulation results with FVM-DEM, and ascertain what the necessity is
for further study. These 2D clear channel cases are going to study the
ability of fluid flows, pressure drop, and deposition fraction (Kuruneru et
al., 2016). The 2D clear channel studies can help the candidate to
optimise LBM-DEM solver in Mechsys, and also optimise the boundary
conditions for the 2D modelling studies, then, to implement the LBM-
DEM approach on a simple idealised 2D model, in which the obstacles
are parallel. The 2D pattern of obstacles is going to follow modelling of
the real structure of a fibrous filter in micro structure. Compare the 2D
obstacles cases with FVM-DEM cases and other LBM-DEM cases which
have the similar configuration. The 2D simulations are close to real
structures, so this can assist the candidate to study the particle capture
process by obstacles or pattern of obstacles. This step corresponds to
the validation for first objective and is used to prepare for the second
objective.
Chapter 3: Research Methodology 31
3. To establish some 2D geometries that have the porosity of 90%. The
pattern or structure is close to real fibrous filter but is more complex than
the idealised model in step 2. It will be a porous media or a fibrous media.
The input parameters will follow step 2, validation cases. The results of
simulations can be compared with each other. Pressure drop, and the
ability of filtration, will be the most important findings, from which the
most effect configurations can be discovered. This step is to prepare the
second and third objectives.
4. To investigate particle properties, such as size, density, etc. Use the
select configurations keeping 90% porosity, particle velocity and other
boundary conditions that will have different settings, to perform
numerical investigations based on an idealised and real 2D fibrous filter
structure. This step is to investigate the filtration process and mechanism,
which corresponds to the second and third objectives.
5. Based on step 4, use the selected configurations with 75% porosity then
run the simulations. The results of simulations will be validated against
results from the 90% porosity cases, and analytical models available in
the literature. To analyse the simulation results, this step responds to the
third and fourth objectives.
3.2 Rational of LBM-DEM in Mechsys
In order to satisfy the objectives of this research, an appropriate method must
be selected. The approach of such clear and detailed methods in the resulting
area depends on the research objectives and the strengths and limitations of
the various numerical and experimental methods, which are used by other
researchers as highlighted broadly in the literature review section.
As the literature review mentioned, the particle filtration process includes
particle-particle interaction, particle-fluid interaction and particle-obstacle
32 Chapter 3: Research Methodology
interaction. The consideration is that the structure of the filter would be
complex, and the gaps between the filter obstacles would be close to the
particle diameter. Also, for studies of filtration mechanics and particle tracking,
the computational domain would be very small. LBM can simulate the air flow
for the small domain and complex structure, and the input parameter is easier
to set up so that the input parameters only consider the input velocity and
direction. DEM can simulate the particle movements, the property of particles
and the interaction between particle-particle and particle-obstacle so they are
all included. The conventional CFD methods, which are FVM solvers to solve
the NS equations, have been coupled with the DEM method such as in
Kuruneru’s research (2016 & 2017). These methods or solvers have good
performance for large-scale simulations, but for small scale or pore scale they
have some limitations (Galindo-Torres, 2013). This research will study the
particle filtration progress, in which the maximum size of a particle is 10 µm
and the filter materials create small pores. It is due to the LBM having good
effect such as locality of the dynamic steps, and solving the porous media
problems, that LBM and DEM can be coupled to be the solver (Galindo-Torres,
2013).
3.2.1 Theory of LBM Model in Mechsys
The development of LBM is implemented in Mechsys to solve the fluid
dynamics problem, including 2D model (D2Q9) and 3D model (D3Q15). The
LBM approach of Mechsys can be selected D2Q9 model, which is a robust 2D
LB discretisation scheme. The idealised model shows that the domain can be
divided into square lattice, with spacing h in the length and width of the lattice,
as shown in Figure 8. Each node can move to its eight immediate neighbours.
Chapter 3: Research Methodology 33
Figure 8: LB discretisation and D2Q9 model of Mechsys
The centre node has the velocity 𝑒0=0 and moving to the other nodes the
velocities are ei (i=1, …8). The nine discrete velocities can be defined as:
𝑒0 = (0, 0)
𝑒𝑖 = 𝐶 (cos𝜋(𝑖 − 1)
2, sin
𝜋(𝑖 − 1)
2) (𝑖 = 1, 2, 3, 4)
𝑒𝑖 = 𝐶 (cos𝜋(2𝑖 − 9)
4, sin
𝜋(2𝑖 − 9)
4) (𝑖 = 5, 6, 7, 8).
(14)
In equation 14, C is the lattice speed, which is given as =ℎ
∆𝑡 , ∆𝑡 is the discrete
time step.
For Mechsys, the Boltzmann equation is solved in the discrete lattices. The
governing equations, N-S equations, are described by the Chapman-Enskog
expansion. The collision operator is the BGK model, which is simplified as a
linearised function. The developed equation is:
𝑓𝑖(𝑥 + 𝑒𝑖∆t + ∆t) = 𝑓𝑖(𝑥, t) −1
𝜏(𝑓𝑖(𝑥, t) − 𝑓𝑖
𝑒𝑞(𝑥, t)) , (𝑖 = 0, … ,8). (15)
In this equation, x is the position vector, 𝑓𝑖 defines the discrete velocity
direction of 𝑒𝑖 in the lattice, 𝑓𝑖𝑒𝑞
is the corresponding equilibrium distribution.
Another consideration is the fluid kinematic viscosity (𝜗). It is written as
34 Chapter 3: Research Methodology
𝜗 =(𝜏 − 0.5)∆𝑥2
3∆t .
(16)
It is shown that ∆𝑥 is the lattice size, which is same as h in Figure 8, 𝜏 is a
dimensionless parameter, relaxation time. It is known that 𝐶 is the lattice
speed, so the equilibrium distribution for the D2Q9 model is given as
𝑓0𝑒𝑞 = 𝜔0𝜌(1 −
3𝑢2
2𝐶2)
𝑓𝑖𝑒𝑞(𝜌, 𝑢) = 𝜌𝜔𝑖 (1 +
3𝑒𝑖𝑢
𝑐2+
9(𝑒𝑖𝑢)2
2𝑐4−
3𝑢2
2𝑐2) (𝑖 = 1, … 8).
(17)
In this equation 𝜔 are the weighting factors, which 𝜔0 =4
9, 𝜔1,2,3,4 =
1
9, 𝜔5,6,7,8 =
1
36.
The fluid density (𝜌) and velocity (u), which are the macroscopic fluid variables,
can be defined from the moments of the distribution functions given as
𝜌 = ∑ 𝑓𝑖
8
𝑖=0
, 𝜌𝑢 = ∑ 𝑓𝑖𝑒𝑖
8
𝑖=1
. (18)
Based on the LBM approach, there is a limitation for the compressive flow. The
Fluid pressure P has a relationship with speed of sound and fluid density 𝜌,
which is:
P = 𝑐𝑠2𝜌 (19)
3.2.2 Theory of DEM Model in Mechsys
For the modelling of moving or fixed particles, a DEM approach is selected.
Mechsys has implemented DEM modelling of the particles’ cohesive force and
contact force to study the particle movements. The relationship of particles is
based on Newton’s second law.
𝑚𝑖��𝑖 = 𝐹𝑖,𝑛 + 𝐹𝑖,𝑡 + 𝐹𝑖,𝑓 + 𝐹𝑖,𝑏 (20)
𝐼𝑖
𝑑𝜔𝑖
𝑑𝑡= 𝑟𝑖,𝑐 × 𝐹𝑖,𝑡 + 𝑇𝑖,𝑟
(21)
Equation 20 and 21 show, where 𝐹𝑖,𝑛 is the normal particle-particle contact
force, 𝐹𝑖,𝑡 is the tangential particle-particle contact force. 𝐹𝑖,𝑓 is the force that
Chapter 3: Research Methodology 35
the surrounding fluid phase may exert on the particles. 𝐹𝑖,𝑏 has summarised
other body force, including gravity, electrostatic and magnetic forces. 𝑇𝑖,𝑟 is an
additional torque on the particle.
The cohesive forces are given by
𝐹𝑛𝑐𝑜ℎ𝑒 = 𝑀𝑛
𝑐𝑜ℎ𝑒𝐴𝜀𝑛𝑛
𝐹𝑡𝑐𝑜ℎ𝑒 = 𝑀𝑡
𝑐𝑜ℎ𝑒𝐴𝜀𝑡𝑡,
(22)
the forces having both normal and tangential directions. 𝑀𝑛𝑐𝑜ℎ𝑒 and 𝑀𝑡
𝑐𝑜ℎ𝑒 are
the elastic modulus for both directions modelling the material, 𝜀𝑛 and 𝜀𝑡 are the
strains of two adjacent particle faces, 𝑛 and 𝑡 are the unit vectors for both
directions. When 𝜀𝑛 > 𝜀𝑡, the particles have the broken bonds which are shear
failure, and when 𝜀𝑛 < 𝜀𝑡, the particles have tensile failure. For the particle
collisions, the contact forces are given by
𝐹𝑛𝑐𝑜𝑛𝑡 = 𝐾𝑛∆𝑙𝑛𝑛
𝐹𝑡𝑐𝑜𝑛𝑡 = 𝐾𝑡∆𝑙𝑡𝑡,
(23)
where 𝐾𝑛 and 𝐾𝑡 are the stiffness constant for both normal and tangential
directions. ∆𝑙𝑛 and ∆𝑙𝑡 are the overlapping lengths of both normal and
tangential directions. The relationship of 𝐹𝑛𝑐𝑜𝑛𝑡 and 𝐹𝑡
𝑐𝑜𝑛𝑡 is given by
𝐹𝑡𝑐𝑜𝑛𝑡 > 𝜇𝑓𝐹𝑛
𝑐𝑜𝑛𝑡
𝐹𝑡𝑐𝑜𝑛𝑡 = 𝜇𝑓𝐹𝑛
𝑐𝑜𝑛𝑡𝑡,
(24)
𝜇𝑓 is the friction coefficient.
Using DEM, mechanism for diesel filters can be numerically obtained for the
first aim.
3.2.3 Theory of Coupling LBM-DEM Model in Mechsys
This research will employ Mechsys, which uses LBM modelling for the carrier
fluid and DEM modelling for the particles’ movement. As the literature review
shows, LBM has a better viscosity effect than the conventional CFD method,
so coupled LBM-DEM would be the better numerical method to simulate the
particle and fluid interaction, for the smaller and lighter particles.
36 Chapter 3: Research Methodology
Mechsys has coupled LBM and DEM. The coupling of LBM and DEM is on the
immersed boundary method (Galindo-Torres, 2013; Sauret et al., 2017). In
Mechsys, the NS equations are solved by LBM. The NS solver module of LBM
solves a set of density functions 𝑓𝑖 for each node in the square lattice.
Some studies have used MechSys to run the simulations. The coupling of
LBM-DEM in MechSys shows:
𝑓𝑖(𝑥 + 𝑒𝑖∆t, t + ∆t) = 𝑓𝑖(𝑥, t) − (1 − 𝐵)1
𝜏(𝑓𝑖(𝑥, t) −
𝑓𝑖𝑒𝑞(𝑥, t)) + 𝐵Ω𝑖
𝑠 .
(25)
The fluid-solid interaction term Ω𝑖𝑠 is derived by the bounce-back for the non-
equilibrium part:
Ω𝑖𝑠 = [𝑓−𝑖(𝑥, 𝑡) − 𝑓−𝑖
𝑒𝑞(𝜌, 𝑣𝑝)] − [𝑓𝑖(𝑥, t) − 𝑓𝑖𝑒𝑞(𝜌, 𝑣𝑝)]. (26)
𝐵 =𝛾(𝜏 − 0.5)
(1 − 𝛾) + (𝜏 − 0.5)
(27)
In equation 26, 𝑣𝑝 is the solid velocity at position x. In equation 25 and 27, B is
a weight function depending on 𝛾 in each cell, when 𝛾 = 0, 𝐵 = 0; and 𝛾 =
1, 𝐵 = 1 (Chen, & Wang, 2017 & Zhang, 2016). The coupling equation 26 can
recover the standard lattice Boltzmann equation and bounce-back rule for 𝛾 =
1 and 0. The relationship between DEM particle and hydrodynamic force is
calculated by the change of momentum in all cells covered by the particle,
which means particles must be larger than the LBM cells; n is the number of
cells covered by the DEM particle, shown in equation 28 (Chen & Wang, 2017).
𝐹 =∆𝑥3
∆t∑ 𝐵𝑛(∑ Ω𝑖
𝑠𝑒𝑖)
𝑖𝑛
(28)
The torque is shown in equation 30, where 𝑥𝑛 is the position of cell, 𝑥𝑐𝑚 is the
mass centre of the DEM particle.
𝑇 =∆𝑥3
∆t∑ [(𝑥𝑛 − 𝑥𝑐𝑚)𝐵𝑛(∑ Ω𝑖
𝑠𝑒𝑖)
𝑖
]
𝑛
(29)
Chapter 3: Research Methodology 37
3.3 Configuration Set-up in Mechsys
Mechsys is based on C++ language for the implementation of simulation tools
in mechanics. The solver of Mechsys including LBM, DEM and coupled LBM-
DEM, the LBM-DEM solver, can simulate the fluid solid interaction. This can
be applied to solve the filtration problems for this research. This research will
select the D2Q9 scheme, as the core solver of LBM, which is a two-
dimensional simulation scheme.
The customisation of Mechsys is to rebuild the template of the simulation case.
Initially, the parameters, which are required by Mechsys to run the cases, need
to be found out. Secondly, the basic Mechsys templates are C++ code, which
is dimensionless value. For the real application, the dimensionless value must
be converted to the dimensional value. Thirdly, rebuild the filter configuration
and computational domain.
Firstly, for the fluid, the Mechsys cases require building of an LBM domain
which is divided by nodes (nx, ny) to make the small lattices. For the 2D cases,
both X and Y axis must be more than 150 nodes; these nodes are
dimensionless value. Then, set a lattice size (dx) as a real dimensional value
and the nx × dx, ny × dx are the real size of the domain. The other parameter
that is required by Mechsys is kinematic viscosity ( 𝜈 ). This value is a
dimensional value, so it can directly use the real value of the fluid. This value
is related to the lattice size (dx), lattice time (dt) and relaxation time (𝜏), shown
in equation 30.
𝑑𝑡 = 𝐶𝑠2(𝜏 − 0.5)
𝑑𝑥2
𝜗 (30)
Then, another required value is dt, this is the lattice time and it will be the same
as the simulation time step; it is also converted to the dimensional value by
using dx. The relaxation time (𝜏) is another important parameter for LBM. The
value of 𝜏 is 0.5 < 𝜏 < 2, due to the numerical stability. 𝜏 is related to the dx, dt
and kinematic viscosity (𝜈). Furthermore, to set the boundary conditions of the
fluid, the density of the fluid can directly use the real value when the lattice
38 Chapter 3: Research Methodology
value has been converted to the dimensional value. The other boundary
conditions, such as gravity and fluid velocity, can use the real value.
Secondly, the DEM particles are based on the LBM domain, so the DEM
particles must comply the LBM parameters. To make sure the particle size
complies with the LBM domain, the particle diameter (dp) must be 10 times
larger than lattice size, which is dp>10dx. To limit computational cost the
particle size is restricted to 10 µm for developing the filtration model. Once
developed and validated this model will be able to use for smaller particles.
This can make the simulation stable and give a clearer visualisation. The other
parameters are particle density, particle velocity, initial positions of particles,
and stiffness constant. The stiffness constant affects the particle-particle
interaction and particle-wall/obstacles interaction. The value of stiffness
constant is related to the particle shape and particle size.
3.4 Post-processing
The simulation results focus on particle deposition, filtration time, filtration
fraction, number of filtered particles, pressure drop between inlet and outlet,
and location of particles’ accumulation. These are key parameters to
characterise the effectiveness of the filters. For example, any increase of
pressure drop is an indication of particle accumulation in the filter, blocking the
flow and building up pressure, while the filtration fraction is a direct measure
of the particles trapped in the filter and will be used to compare the performace
of different filters.
The filtration fraction is defined as the percentage of filtered particles over
injected particles during the filtration time, shown in equation 31.
𝒇𝒊𝒍𝒕𝒓𝒂𝒕𝒊𝒐𝒏 𝒇𝒓𝒂𝒄𝒕𝒊𝒐𝒏 =𝒇𝒊𝒍𝒕𝒆𝒓𝒆𝒅 𝒑𝒂𝒓𝒕𝒊𝒄𝒍𝒆𝒔
𝒊𝒏𝒋𝒆𝒄𝒕𝒆𝒅 𝒑𝒂𝒓𝒕𝒊𝒄𝒍𝒆𝒔× 𝟏𝟎𝟎% (31)
LBM-DEM has some limitation to present the pressure conditions (Junk &
Yang, 2009; Sauret et al., 2017). The pressure is related to the lattice speed
and fluid density and can be calculated using equation 19 in which 𝐶𝑠 is the
Chapter 3: Research Methodology 39
sound speed of the lattice and is a dimensionless value. However, the lattice
velocity 𝐶 can be a dimensional value or a dimensionless value.
In the case where the lattice values are considered as dimensionless, the
lattice velocity and sound speed of the lattice are defined as:
𝐶 =𝑑𝑥
𝑑𝑡= 1, 𝐶𝑠 =
1
√3
(32)
If the lattice size and time steps are calculated based on the dimensional
values, the sound speed of the lattice is obtained from equation 33 (Feng, Han,
& Owen, 2007).
𝐶 =ℎ
∆𝑡, 𝐶𝑠 =
𝐶
√3 (33)
In Mechsys, when dimensional parameters are used to control the LBM
stability, the lattice sound of speed is set by equation (33) and thus the
pressure can be calculated as p=𝜌𝐶2
3. In the case where the computational
domain and/or the lattice size are too small, the lattice velocity is set to unity
to ensure the stability of the LBM method. In that case, the lattice speed of
sound becomes 1
√3 and the pressure is defined as p=
𝜌
3. This approach is
applied in all the results presented in Chapter 5.
Chapter 4: Validation of LBM-DEM model 41
Chapter 4: Validation of LBM-DEM model
4.1 Validation of LBM, Flow Around a Cylinder
This simulation is going to use Mechsys code and make a validation of the
Lattice Boltzmann (LBM) case, which is fluid flow around a cylinder. Mechsys
is an open source programming library for mechanical systems, which is
written in C++. The author is Sergio Galindo-Torres. Mechsys has an LBM
case, which is a D2Q9 simulation for the studies of fluid flow around a cylinder
(2D simulation).
Firstly, set up the computational domain. Set the diameter of the obstacle as
D. Then, from inlet to the centre of the obstacle is 20 times diameter, from the
outlet to the centre of the obstacle is 40 times diameter, and the boundary
walls to the centre of the obstacle is 20 times diameter, as shown in Figure 9.
Figure 9: Geometry of the computed domain
Secondly, to quantify the output of the simulation, Re=20 and Re=40 is the first
validation part. This part has compared the geometry of vortex street (Figure
10) with others’ research. Then, Re=100 to Re=1000 is the second validation
part. This part has compared the Strouhal number with others’ research.
42 Chapter 4: Validation of LBM-DEM model
Figure 10: Measurements of Geometry of Vortex street when Re<40
For Mechsys simulation, most important to note is that it can set the Reynolds
number as a constant for each simulation. The result of the LBM simulation is
shown in Table 2 and Figure 11.
Table 2: LBM simulation results
Mechsys
LBM
L a B θ
Re=20 18 7.1 8.4 43.63
Re=40 42 15 12 53.13
a b
Figure 11: Visualisation of LBM for Low Reynolds Number vortex, a.
Re=20, b. Re=40
Chapter 4: Validation of LBM-DEM model 43
Regenerate the geometry measurements, as L/a, L/b, a/b, and θ. The results
are shown in Table 3. These results show, for the low Reynolds number
(Re<40) simulation, Mechsys LBM code has a similar output to others’ results.
Table 3: To compare simulation results of dimensions’ ratio
L/a L/b a/b θ
Re 20 40 20 40 20 40 20 40
Experiment
(Coutanceau,
1977)
2.81 2.80 2.02 3.6 0.72 1.28 45 53.8
Immersed
interface
method (Xu,
2008)
2.58 3.11 2.16 3.73 0.84 1.2 44 53.8
IB solver
(Manueco et
al., 2016)
2.67 2.84 2.13 3.65 0.8 1.28 44 51
PISOFoam
(Manueco et
al., 2016)
2.76 2.99 2.14 3.85 0.77 1.29 44 52
Mechsys
LBM
2.54 2.8 2.14 3.5 0.85 1.25 43.63 53.13
The next step is to make the validation of Reynolds number between 100 to
1000. Then, to modify the code again and check suitable validation cases, for
which Manueco et al., (2016) have a validation paper. Furthermore, for
100<Re<1000 cases, the curve of Strouhal number and Reynolds number can
be plotted to show the relationship.
When the Reynolds number is larger than 40, the fluid flows will start to create
a Von Kaman Vortex street, which is asymmetric vortices undergoing periodic
44 Chapter 4: Validation of LBM-DEM model
oscillations by constantly interchanging their position with respect to the circle
(Lienhard, 1966). The Reynolds number is defined in equation 34, where 𝜐 is
kinematic viscosity of the fluid (m2/s), D is the diameter of cylinder (m), U is the
velocity of the fluid with respect to the object (m/s), 𝜌 is density of the fluid
(kg/m3), 𝜇 is the dynamic viscosity of the fluid (Pa.s). Also, Strouhal number is
given as equation 35, f is the frequency of the vortex shedding.
𝑅𝑒 =𝑈𝐷
𝜐=
𝜌𝑈𝐷
𝜇𝑓 (34)
𝑆𝑡 =𝑓𝐷
𝑈 (35)
Time analysis of the velocity can find the frequency, then calculate the Strouhal
number, shown in Table 4. It shows the Reynolds number increase from 100
to 1000, the maximum velocity and frequency have the increased tendency.
Table 4: Strouhal number analysis
Re Exp(St) Piso(St) IB(St) LBM(St)
vmax
(m/s) f (Hz) T (s)
100 0.165 0.165 0.165 0.17
0.141 0.12 525
200 0.191 0.193 0.192 0.1906
0.171 0.163 504
500 0.208 0.209 0.21 0.2011
0.179 0.18 498
550 0.209 0.21 0.212 0.2063
0.188 0.194 488
600 0.209 0.212 0.214 0.208
0.2 0.208 460
700 0.21 0.214 0.218 0.212
0.227 0.241 461
800 0.21 0.219 0.222 0.212
0.272 0.288 446
1000 0.21 0.22 0.232 0.228
0.288 0.332 408
The relationship between Reynolds number and Strouhal number can be
plotted in a line chart, shown in Figure 12. The LBM results compare with IB
simulation, pisoFoam simulation, and experimental results. When the Re=100,
LBM result is higher than others, St=0.17 and the other results are the same,
St=0.165. When the Re=200, all the results are very close, and LBM result is
the closest to the experimental result. When the Re ranges from 600 to 800,
the LBM results are also the closest to experimental results. Indeed, the
tendency of LBM results is increased from Re=100 to Re=1000, but compared
Chapter 4: Validation of LBM-DEM model 45
with others’ curve, this LBM curve is not smooth. The experiment curve is flat,
after Re=500. The IBM curve appears to have a linear increase. PISOFoam
results also presented a non-smooth line, and it is between the IB curve and
the experiment curve, when it is after Re=500. For the Mechsys LBM curve,
after Re=600, it is between the IB curve and the experiment curve. The further
studies will be micron scale simulations. As it is difficult to have Re>100, this
step of validation is to confirm the LBM code has the similar effects as others’
methods.
Figure 12: Results of Strouhal number of Reynolds number from 100 to
1000, experiment: Coutanceau (1977); PISOFoam: Manueco et al.,
(2016); IB: Manueco et al., (2016)
This validation section has studied the LBM simulations, which are fluid flows
around a cylinder 2D case. For Re=20 and Re=40, which created two
symmetric eddies behind the circle, LBM simulations gave very acceptable
results. When 100<Re<1000, LBM simulations gave the results in the suitable
range and correct tendency. When the Re=200, Re=600, Re=700, and
Re=800, at these points LBM simulations have the closest result to the
experimental results. Due to these simulation results, the Mechsys LBM code
has been validated. For further studies, the micron particles and domain will
0.16
0.17
0.18
0.19
0.2
0.21
0.22
0.23
0.24
50 150 250 350 450 550 650 750 850 950 1050
St
Exp
Piso
IB
LBM
46 Chapter 4: Validation of LBM-DEM model
be used; the Renolds number could be very small and the simulations should
be laminar flows. This LBM code can be used for further simulations.
4.2 Validation of DEM Code of Mechsys
Further research will use the LBM-DEM coupling method. Mechsys LBM code
has been validated, which is a considerable simulation tool for fluid flow.
Mechsys have DEM simulation capabilities for particle movement studies and
LBM-DEM coupling. It is considered, the validated DEM code can provide the
modelling of particles, for both validated codes (LBM and DEM) are going to
support the validation of coupled LBM-DEM code. If all the validations have
been done, Mechsys code can be the choice for use in further research.
DEM can compute the motion and effect of a large number of small particles.
Also, DEM can study the relationship between particle and particle, or particle
and wall in a practical manner. There are two steps of validation. First
validation is particle-particle collisions. Second validation is particle-wall
rebound.
4.2.1 Two-sphere Collision of DEM Simulation
First of all, a particle-collision case, which can study the relationship between
two particles, must be developed. The Mechsys tutorial case of two particles’
collision studies the dynamics of two non-spherical particles: a tetrahedron and
a cube. This case can be modified as a two-sphere collision simulation.
For this two-sphere collision, the validation can use the theory of conservation
of momentum, shown in equation 36, equation 37 and equation 38: p is the
momentum of particle, m is mass of particle, v is the velocity of particle. The
momentum conservation means, in a closed system, the total momentum is
constant. As for Scenario 1, when the initial condition is m1=m2, v1=1 m/s, v2=-
1 m/s, after the collision the velocities of m1 and m2 have been exchanged. The
Chapter 4: Validation of LBM-DEM model 47
second scenario shows that the initial condition is m2=0.5m1 and the velocity
is the same as Scenario 1. This scenario will use equation 39. The calculation
result is v’1=-0.333 m/s and v’2=1.665 m/s, and the two spheres change their
moving direction after collision. Scenario 3 is a case of moving sphere colliding
with a stop sphere. After the collision, the two spheres change velocities.
Scenario 4 is to calculate a two-spheres-collision in which m1=m2, v1=2 m/s,
v2=-1 m/s. After the collision, the two spheres have the same moving direction,
and the velocities are the same, which is 0.5 m/s. By using this theory,
comparing the manual calculation results and simulation results, the results
are the same; the simulation results are shown in Table 5. These four
scenarios are the typical physics studies of conservation of momentum.
𝑝 = 𝑚𝑣 𝑎𝑛𝑑 𝑝 = 𝑝’ (36)
𝑚1𝑣1 + 𝑚2𝑣2 = 𝑚1𝑣1’ + 𝑚2𝑣2’ (37)
𝑚1𝑣1’ − 𝑚1𝑣1 = −(𝑚2𝑣2’ − 𝑚2𝑣2) (38)
Velocity for head-on collisions: 𝑣′1 =𝑚1−𝑚2
𝑚1+𝑚2𝑣1 (39)
Table 5: Mechsys simulation results of particle-collisions
m1 (g) v1 (m/s) m2 (kg) v2 (m/s)
Scenario 1 Initial 8.76×10-3 1 8.76×10-3 -1
Final 8.76×10-3 -1 8.76×10-3 1
Scenario 2 Initial 8.76×10-3 1 4.38×10-3 -1
Final 8.76×10-3 -0.333 4.38×10-3 1.665
Scenario 3 Initial 8.76×10-3 1 8.76×10-3 0
Final 8.76×10-3 0 8.76×10-3 1
Scenario 4 Initial 8.76×10-3 2 8.76×10-3 -1
Final 8.76×10-3 0.5 8.76×10-3 0.5
These four scenarios are the spheres that have the diameter of 1 mm. Due to
the results of typical studies being the same, the validation could try the other
cases, which have smaller diameter, lower mass, and higher velocities. The
next studies will use the smaller particles with different diameter and initial
velocities, with the results shown in Table 6.
48 Chapter 4: Validation of LBM-DEM model
Table 6: Particle Collision studies with different velocity and particle size
Cases v’1 (m/s) v’2 (m/s)
d1=0.1 mm,
ρ=0.004 g/mm3,
m1=2.1×10-6 g,
v1=5 m/s
d2=0.02 mm,
ρ=0.004 g/mm3,
m2=1.676×10-8 g,
v2=1 m/s
Calculation
results:
4.90499 10.90499
Simulation
results:
4.8776 10.901
d1=0.1 mm,
ρ=0.004 g/mm3,
m1=2.1×10-6 g,
v1=10 m/s
d2=0.02 mm,
ρ=0.004 g/mm3,
m2=1.676×10-8 g,
v2=-10 m/s
Calculation
results:
9.6833 29.6833
Simulation
results:
9.0253 29.0452
To compare the calculations and simulations of these two cases, the result is
very close: the maximum error is 6.8%, the minimum error is 0.04%. The very
small difference of the calculations and simulations could be considered as
two technical reasons. Firstly, the time steps can be set smaller, for more
accurate value. Secondly, the visualisation software can only read four
decimals. The simulation results are close to the calculation results by using
the theory of conservation of momentum, so the particle-particle collision for
Mechsys DEM code can be used.
4.2.2 Sphere Rebounding of DEM Simulation
The next simulation is to study the particle and surface relationship. This
validation is going to compare a free-fall-particle bumping a flat solid surface.
Chapter 4: Validation of LBM-DEM model 49
The configuration of this validation is shown in Figure 13. This simulation will
study a particle from an initial position drop on the fixed surface and bump
back, because of the gravity (g=9.81 m/s2). Caserta, Navarro, and Cabeza-
Gomez (2016) have studied some parameters of a DEM-approach, such as
damping coefficient (η) and restitution coefficient (e).
Figure 13: Free fall of a single particle
Caserta's (2016) work studied three kinds of model, which are a Linear Spring-
Dashpot (LSD), and two non-linear models, HSD-A and HSD-B (Hertzian
Spring-Dashpot). HSD-A and HSD-B have a difference in computing the
damping force.
For the free fall studies, Caserta’s (2016) group has done four scenarios, which
each have two models with en=0.9 and en=0.7 (en is the normal restitution
coefficient). The example is shown in Figure 14 and redraws the curve.
Figure 14: HSD-A, en=0.7, Particle Centre PSosition (Caserta, et al.,
2016)
50 Chapter 4: Validation of LBM-DEM model
The Mechsys simulation results are shown in Figure 15 and Table 7. The
dashed curve shows the simulation result of Mechsys. It presents the particle
drop from the initial position, which is 5 m high measured from the top of the
particle. The first part of the curve shows the particle’s first time touching the
surface from the initial position. This curve has a high coincidence rate with
Caserta’s (2016) work. The first bouncing compares the top point of
simulations with Caserta’s (2016) work, with the simulation result having
1.87% difference. Then, in the second bouncing, the top point has 7.43%
difference, and the third bouncing has 17.52% difference. To calculate the
difference equation 40 can be used. For the case of the HSD-A model, en=0.7,
the Mechsys simulation result is acceptable.
ε=𝑠𝑖𝑚𝑢𝑙𝑎𝑡𝑖𝑜𝑛 𝑣𝑎𝑙𝑢𝑒−𝑒𝑥𝑎𝑚𝑝𝑙𝑒 𝑣𝑎𝑙𝑢𝑒
𝑒𝑥𝑎𝑚𝑝𝑙𝑒 𝑣𝑎𝑙𝑢𝑒× 100% (40)
Table 7: Mechsys Results of The Real Time and Particle Centre Position
(h)
t (s) h (m)
0 0.5
0.1 0.45
0.2 0.3038
0.3 0.06
0.4 0.245
0.532 0.264
0.764 0.06
0.943 0.158
1.123 0.06
1.262 0.095
1.4 0.06
Chapter 4: Validation of LBM-DEM model 51
Figure 15: HSD-A Model, en=0.7, Compare Mechsys Result with Caserta
et al. (2016) Results of Particle Centre Position h,
It is shown in Figure 15, that the sphere drop from the initial state to the
surface has a similar curve, the second rebounding has a small difference,
then in the third and the fourth rebounding, the errors have been increased. It
could be considered this simulation and case study have different time steps,
so the measurement could have this small error.
4.3 LBM-DEM Validation
The validation of pure LBM and DEM codes of Mechsys has produced
acceptable results. From the LBM validation, it is shown when the Reynolds
number is less than 800, the output of Mechsys is close to the experimental
results. Furthermore, the pure DEM code also produced good results for
particle-particle collision and particle-wall bouncing motion. This validation is
going to use or modify the coupling code of LBM-DEM in Mechsys to find out
the suitability for the application of Mechsys.
One experimental work has been selected (Gondret, Lance & Petit, 2002),
which has studied the bouncing motion of spherical particles in fluids. The
material of spheres in this experiment has some physical properties: for steel,
density ρs (7.8×103 kg/m3), Young’s modulus E (240×109 Pa), Poisson’s ratio ν
52 Chapter 4: Validation of LBM-DEM model
(0.30),and maximal coefficient of restitution emax (0.97); and for Teflon, density
ρs (2.15×103 kg/m3), Young’s modulus E (0.4×109 Pa), Poisson’s ratio ν (0.46),
and maximal coefficient of restitution emax (0.80) . The physical properties of
the fluid are: for air, ρ (1.2 kg/m3) and dynamic viscosity μ (1.85×10-5 Pa∙s);
and for silicone oil (RV10), ρ (0.935×103 kg/m3) and dynamic viscosity μ (10-2
Pa∙s). Two cases have been selected, one is a Teflon ball in the air, another
is a steel ball in silicone oil (RV10).
Firstly, the simulation results will compare the height of the bouncing motion of
spheres at different times. Another is comparing the velocity of spheres at
different times. The first experiment has set the Re, St, and e, at the first impact
between Teflon sphere (d=6 mm) and fluid (air), which are Re=210,
St=7.8×104, and 𝑒=0.80. From these values, it is possible to control the initial
position or velocity of the sphere. The Mechsys simulation for the first case will
use the initial position of sphere as 0.038 m, measured from the bottom of the
sphere to the surface. The simulation results compared with experimental
results have been shown in Fig 16. The purple curve is the particle from the
initial position drop to the surface. The purple curve shows the bouncing motion
of the sphere. The first bouncing of the sphere did not reach the maximum
height of the experiment, the second bouncing is higher than the experimental
data, and the third bouncing height is almost the same as the experiment. The
top of first bouncing is clear, the difference is 10.97%. For the second top, the
difference is 0.32%. For the third bouncing, the difference is 1.43%. From
fourth bouncing to sixth bouncing, the difference is 4.86%, 6.73%, and 11.89%.
From this validation, although it is not totally the same, the bouncing motion of
simulation is close to the experiment, with the difference being less than 20%.
Next is to compare the velocity u as a function of time t.
Chapter 4: Validation of LBM-DEM model 53
Figure 16: 6 mm Teflon sphere bouncing motion in the air, h-t function, for
the experiment, at the first impact Re=210, St=7.8×104, and 𝒆=0.8
(Gondret, Lance & Petit, 2002)
The velocity versus time graph is shown in Fig 17. The movement of first
bouncing shows the u-t function is close to a straight line and similar to the
experiment results. Comparing the second and third bouncing, the u-t function
is still close to a straight line. Then, in the fourth and fifth bouncing, the u-t
function of simulation becomes curves, but the results are still in the suitable
range of experiment’s value.
54 Chapter 4: Validation of LBM-DEM model
Figure 17: 6 mm Teflon sphere bouncing motion in the air, u-t function, for
the experiment, at the first impact Re=210, St=7.8×104, and 𝒆=0.8
(Gondret, Lance & Petit, 2002)
Next, it uses the same method, to run a simulation of 3 mm steel sphere in
silicon oil (RV10). The initial position of the steel sphere is 0.009 m, from
sphere bottom to the surface. The first impact of sphere and fluid is Re=82,
St=152, and 𝑒=0.78. The simulation results are shown in Fig 18. The bouncing
motion of the steel sphere in the silicon oil (RV10) is similar to the experiment
value. The maximum point and the minimum point for this simulation result is
almost the same as the experimental result; for the first two motions, the
difference of the top point is 0.17% and 0.23%.
Chapter 4: Validation of LBM-DEM model 55
Figure 18: 3 mm steel sphere bouncing motion in silicon oil RV10, h-t
function, for the experiment, at the first impact Re=82, St=152, and
𝒆=0.78 (Gondret, Lance & Petit, 2002)
Then, comparing the velocity at different times, the results are close to the
experiment’s result for the first two motions, shown in Figure 19. Comparing
Figure 18 and Figure 19, when the particle is at the top of the bouncing motion,
velocity equals to 0. The velocity at this point is coincident with the experiment.
56 Chapter 4: Validation of LBM-DEM model
Figure 19: 3 mm steel sphere bouncing motion in silicon oil RV, 10 u-t
function, for the experiment, at the first impact Re=82, St=152, and
𝒆=0.78 (Gondret, Lance & Petit, 2002)
Comparing the 6 mm Teflon ball bouncing case and 3 mm steel ball bouncing
case, it has been shown that LBM has the better performance for small
Reynolds number simulation and dynamic viscosity. The maximum difference
of the Teflon ball case is 11.89%, and the density ratio of Teflon and air is
1791.667; the sphere motion has lower influence from fluid than the steel ball
case. The 3 mm steel sphere has the smaller Reynolds number at the first
impact with fluid, than does the 6 mm Teflon sphere. Also, the silicon oil has
larger dynamic viscosity than the air. The maximum difference is 0.23%, and
the density ration of steel and silicon oil is 8.342, showing that the sphere
motion has larger influence from the fluid. Due to these reasons, the second
simulation results are more reasonable than the first simulation results.
Chapter 4: Validation of LBM-DEM model 57
For the validation of LBM-DEM simulation, the code of Mechsys is validated,
and can be used for further research. This validation still has some
weaknesses, and further research could avoid these situations for more
accurate results. The first is the time steps, which can be set smaller, to make
more reading and more accurate. Secondly, some physical parameters, such
as dimensions and material, can use more accurate values.
From the pure LBM and pure DEM simulations, both LBM and DEM are
validated. Then, from this simulation, the coupling LBM-DEM code is also a
useful code and validated. Mechsys code can be applied for further LBM-DEM
research.
4.4 Particle-laden Air Flow in a Clear Channel
Clear channel simulation is a flow domain which has top and bottom parallel
walls as well as left and right inlet and outlet, also inside the flow domain, there
is no obstacle. The validation of the basic theories for each method has been
achieved, and it shows that Mechsys results have very small differences with
others’ experiments and simulations, so Mechsys is found suitable to do further
research. This simulation will use Mechsys to run an LBM-DEM case, which is
a clear-channel study. The results will be compared with Kuruneru et al.’s
(2016) result, which used an FVM-DEM approach.
Kuruneru et al. (2016) have created a clear channel, which is 5 mm high and
25 mm long. The simulation will study two different diameters of particles, one
is 350 µm, the other is 500 µm. Also, the parameters are kept the same as
Kuruneru et al.’s (2016) simulation, with particle density of 2500 kg/m3, input
velocity of 0.5 m/s from left to right, and the particles randomly injected along
the inlet section. The simulation results will be analysed, including maximum
fluid velocity, deposition fraction, numerical pressure drop, and particle
deposition plots. The analytical pressure drop from Kuruneru et al.’s (2016)
work used the Ergun analytical equation. Based on Kuruneru et al.’s (2016)
journal, the Mechsys simulation has similar settings for both cases, with 160
58 Chapter 4: Validation of LBM-DEM model
particle injected from 0.2 s to 1 s, top and bottom walls being solid wall, and
the fluid being air.
Table 8 and Figure 20 show the simulation results of 350 µm particles. It is
shown in Table 9, all the simulation results of LBM-DEM are larger than the
results of FVM-DEM. For the pressure drop, FVM-DEM result is closer to the
analytical pressure drop than LBM-DEM. Figure 20a shows that particle
deposition of FVM-DEM is around the middle of the channel, some particles
are deposited at the left of the midsection, with more particles deposited at the
right of the midsection. For LBM-DEM, all the particles deposited at the right
of the midsection and close to the outlet of the domain, where the deposition
location starts from 13.25 mm to the end. Comparing these two numerical
approaches, the difference is very minimal for this case. The percentage of
difference for the results are 7.59% of velocity, 14.77 of deposition fraction,
and 28% of numerical pressure drop.
Table 8: Compare FVM-DEM and LBM-DEM results for 350 µm particles
Max Fluid
velocity
(m/s)
Deposition
Fraction (%)
Numerical
Pressure
Drop (Pa)
Analytical
Pressure
Drop (Pa)
FVM-DEM,
Kuruneru et
al. (2016)
0.8500 44.00 0.321 0.319
LBM-DEM 0.9145 50.50 0.411 0.319
Chapter 4: Validation of LBM-DEM model 59
a
b
Figure 20: Particle deposition and velocity flow field of 350 µm particles,
a. FVM-DEM (Kuruneru et al. 2016), b. LBM-DEM
Table 9 and Figure 21 shown the simulation of 500 µm particles. Comparing
these two approaches, LBM-DEM has only the maximum fluid velocity larger
than FVM-DEM, and the deposition fraction and pressure drop; FVM-DEM is
larger, as shown in Table 9. From Figure 21, it is shown that FVM-DEM has
the average distribution of particle deposition around the midsection, and the
distribution range is larger. For LBM-DEM, the distribution range of particle
deposition is smaller than FVM-DEM results, and the distribution section is
from the middle to the right side. Figure 21b shows, at the midsection, the
particle deposition is slightly more than in the right section. The percentage of
difference for the results are 15% of velocity, 14.29% of deposition fraction,
and 41% of numerical pressure drop. The pressure drop for both methods in
this case has an obvious difference.
60 Chapter 4: Validation of LBM-DEM model
Table 9: Compare FVM-DEM and LBM-DEM results for 500 µm particles
Max Fluid
velocity
(m/s)
Deposition
Fraction (%)
Numerical
Pressure
Drop (Pa)
Analytical
Pressure
Drop (Pa)
FVM-DEM,
Kuruneru’s et
al. (2016)
1.0 63.00 0.746 0.698
LBM-DEM 1.150 54.00 0.440 0.698
a
b
Figure 21: Deposition of 500 µm particles and velocity flow field, a. FVM-
DEM (Kuruneru et al. 2016), b. LBM-DEM
Using the same method, when the particle size changes from 350 µm to 500
µm, all the results (maximum fluid velocity, deposition fraction, pressure drop)
are increased for both FVM-DEM and LBM-DEM approaches. For the FVM-
DEM approach, the particle deposition and pressure drop increased a lot,
Chapter 4: Validation of LBM-DEM model 61
when the particle size increased from 350 µm to 500 µm. For the LBM-DEM
approach, the particle deposition and pressure drop only increased a little,
when the particle size increased from 350 µm to 500 µm.
4.5 Compare FVM-DEM and LBM-DEM results for Air Flow over 6
circular Obstacles
The simulation will use Mechsys to run an LBM-DEM case, and will be
compared with Kuruneru et al.’s (2017) and Sauret et al.’s (2017) FVM-DEM
simulation results, in which Sauret et al. (2017) have compared Kuruneru et
al.’s (2017) results with Mechsys LBM-DEM results.
For the author’s simulations, the computational domain, geometry, and
boundary conditions are same as the Kuruneru et al. (2017) and Sauret et al.
(2017) simulations. The difference here from the Sauret et al. (2017) work is
the use of a smaller lattice unit (dx), in which the 0.6mm×4mm domain has
been divided into 160×1067 lattices, whereas the Sauret et al. (2017) work
uses 152×1000 lattices. The reasons for choosing the smaller lattice unit are
that the smaller could make the simulation more stable, minimising the
difference between computational domain and real geometry, and tending
toward better convergence. The other parameters are the same as Sauret et
al.’s (2017) paper: the particle density is 2400 kg/m3, particle diameter is 50
µm, particles and fluid input velocity is 0.1 m/s, and 160 particles will randomly
inject from 0.2 s to 1.0 s along the inlet of the domain.
It is shown in Figure 22 and Table 10 that the maximum fluid velocities for each
case are very close, the difference between both LBM-DEM being only 0.0013
m/s, which is 0.161% difference. Then, the difference of deposition fraction is
also in a small reasonable range; Sauret’s result has 2% higher than
Kuruneru’s result, Kuruneru’s result has 1% lower than the present results, and
Sauret’s result has 1% higher than the present results. For the pressure drop,
both LBM-DEM results are larger than the FVM-DEM result, due to the LBM
having better viscosity performance than FVM. For both LBM-DEM results,
62 Chapter 4: Validation of LBM-DEM model
between the particles, the maximum pressure is close to 15 Pa. Figure 22a
shows the particle deposition result of the FVM-DEM approach, where each
column of obstacles has the effect to stop some particles; the first column of
the obstacles which is close to the linlet is the most effective column. Figure
22b shows Sauret’s LBM-DEM simulation result, the particle deposition area
is different as is the FVM-DEM approach. It shows that the major particles have
been stopped by the first column of the obstacles, the second and third column
seem to have no effect in stopping the particles. Figure 22c shows the author’s
simulation results of LBM-DEM; although the particle deposition is lower than
Figure 22b, the deposition area is similar to Figure 22b, because these two
simulations use the same source code, with only the lattice unit being different.
Table 10: Summary of results for 50 µm particles
Max Fluid
velocity (m/s)
Deposition
Fraction (%)
Numerical
Pressure Drop
(Pa)
FVM-DEM,
Kuruneru et al.
(2016)
0.6 68.16 6.37
LBM-DEM,
(Mechsys
Code) Sauret
et al. (2017)
0.807 70.00 9.0
LBM-DEM,
(Mechsys
code) current
study
0.8057 69.18 7.81
Chapter 4: Validation of LBM-DEM model 63
a
b
c
Figure 22: Deposition of 50 µm particles, a. FVM-DEM (Kuruneru et al.,
2017), b. LBM-DEM (Sauret et al. (2017)), c. LBM-DEM (current study)
4.6 Summary of Mechsys Validation
In this chapter, the Mechsys code of LBM-DEM has been validated, which can
be applied for the particle filtration simulations. The LBM approach has good
simulation results for the low Reynolds number cases. The DEM approach has
been validated for the particle collisions of momentum studies, and particle
rebound studies. Then, the validation of coupled LBM-DEM has been
completed. For particles dropped in the fluid, LBM-DEM has presented similar
results as experimental data. The 3 mm steel sphere has presented a low error
result, which has maximum 0.23% difference to the experimental data. The
compared FVM-DEM approach and LBM-DEM approach, for the particles’
deposition in the clear channel has shown error of maximum velocity and
64 Chapter 4: Validation of LBM-DEM model
particle deposition fraction are less than 20%, but the pressure drop has
obvious errors. Lastly, the particle-laden air flow over six circular obstacles has
shown that the location of deposition is different between FVM-DEM and LBM-
DEM but using the same code of LBM-DEM, decreasing the lattice size, both
LBM-DEM results have similar particle deposition area. The small difference
is pressure drop.
The validation chapter has shown LBM of Mechsys code can present the
similar results as others’ validated simulations for fluid flows. Then, the DEM
of Mechsys code has been validated for both particle-particle reaction and
particle-wall reaction. Also, the coupled LBM-DEM of Mechsys code has been
validated which fluid and particle interaction is close to the others’ simulation
results. The validation has been done, so Mechsys code can be applied for
this research.
Chapter 5: Results and Discussion 65
Chapter 5: Results and Discussion
For the simulation of particle filtration, there were two major conditions of filter
that should be considered, which are the porosity of the filter and sizes of filter
material. This section has shown the simulation results and discuss the
filtration effects. The constant porosity and sizes of filter material have been
applied, then the different configurations of the filters compared to discuss the
filtration effects. These results were all the idealised 2D simulations. The
simulations used an LBM-DEM numerical approach from Mechsys code, which
is an open source code based on c++.
5.1 Computational Domains for Different Filter Designs
First of all, 90% porosity (Φ) filters have been designed as six configurations,
as shown in Figure 23, the filter materials considered two sizes of obstacles,
20 µm or 10 µm. The filters have 112 µm width and 140 µm length for A, B, C,
D; and 112 µm width and 168 µm length for E, F to keep the porosity of 90%.
The domain is 112 µm × 252 µm for A, B, C, D; and 112 µm × 280 µm for E,
F. The fluid flow and particle injection are from top (inlet) to bottom (outlet),
same as the gravity direction, and all the boundaries are solid-wall. Also, there
are some other important conditions: solid particles of 2500 kg/m3 or 800 kg/m3
density, fluid of 1.225 kg/m3 density, simulation time is 0.1 s, particles are
injected from 0.01 s to 0.1 s. The injected position is randomly along the inlet,
the total injected number of particles is 125, all the particles have 10 µm
diameter, and the inlet velocity of particles and fluid is 0.1 m/s or 0.05 m/s.
There are six different configurations of the filters that have been created.
Configuration A and configuration B are the regular pattern of obstacles,
configuration C and configuration D have a random pattern of obstacles,
configuration E and configuration F are the two layers of small obstacles
covering a middle layer of obstacles. The porosities have been calculated
between the filters’ bound. As the porosity is 90%, for each configuration, the
66 Chapter 5: Results and Discussion
minimum distance of obstacles to the filters’ bound is 2 µm, and the minimum
distance of obstacles to the boundary walls is 18 µm. Furthermore, the filter
area can be compressed to reduce the porosity to 75%. The filters A and D
have 112 µm width and 116 µm length to keep the porosity, and filter E has
112 µm × 122 µm. The total computational domain is kept the same, at 112
µm × 252 µm. The minimum distance from obstacles to the boundary wall is
18 µm as well. All the configurations are shown in Figure 23.
90
% p
oro
sity
75
% p
oro
sity
Con
fig
ura
tio
ns
A
B
C
D
E
F
Figure 23: 90% porosity of 6 different configuration of filters and 75%
porosity of 3 different configurations of filters
Chapter 5: Results and Discussion 67
5.2 Catalogue & Design of Simulation Groups, for Comparison
Based on the filter configurations, the simulations have been catalogued as
five groups, shown in Table 11. Group 1 is following the validated parameters
to run the six configurations of 90% porosity, in which velocity is 0.1 m/s,
particle size is 10 µm, and density is 2500 kg/m3. The configurations of high
filtration have been selected, which are configuration A, D, and E. These three
configurations run the simulations of other initial parameters, such as group 2,
to group 5.
Table 11: Catalogue & design of simulation groups, for comparison of
filtration effect by using different initial parameters
Φ v (m/s) ρ (kg/m3) Geometry
Group 1 90% 0.1 2500 A, B, C, D, E,
F
Group 2 90% 0.05 2500 A, D, E
Group 3 90% 0.1 800 A, D, E
Group 4 90% 0.05 800 A, D, E
Group 5 75% 0.05 800 A, D, E
Due to the different configurations having different filtration effects, the
simulation results have been analysed based on the change of configuration,
variation of particle density, etc. … In the LBM-DEM approach, the pressure is
related to the mass flow, then the results gave the fluid density difference, so
to calculate the pressure, the formula P = C𝑠2 × ρ will be applied.
68 Chapter 5: Results and Discussion
5.3 Filtration Effect of 10 µm Particles Flow Through Filters of 90%
Porosity
5.3.1 Simulation of Group 1, Comparison and Selection of 6 Designs
The first group of the simulations have run all the six cases of the filters, in
which the input velocity is 0.1 m/s, particle size is 10 µm in diameter, and the
particle density is 2500 kg/m3. From these six simulations, the results have
been compared between each case, shown in Figure 24. The comparisons
considered three parameters, which are filtration fraction, pressure drop, and
filtration time. The first group of simulations kept initial velocity of 0.1 m/s, for
continue the computational stability from the validation cases.
Chapter 5: Results and Discussion 69
Configuration A:
t=0.1 s
Configuration B:
t=0.1 s
Configuration C:
t=0.1 s
Configuration D:
t=0.0832 s
Configuration E:
t=0.07 s
Configuration F:
t= 0.1 s
Figure 24: Comparison for endings of simulations in 6 configurations,
Φ=90%, v=0.1 m/s, ρ=2500 kg/m3
All the six simulations have shown that 1-A, 1-D, 1-E and 1-F have high
filtration efficiency to remove the 10 µm particles, which have the heavy density
of 2500 kg/m3, and the high initial velocity of 0.1 m/s. The reason can be
considered, for 1-A, that if each row of obstacle(s) can reduce the velocity of
70 Chapter 5: Results and Discussion
particles, the slower particle velocity will make the particle gathering and
deposition inside the filter. For 1-D, 1-E and 1-F, with the same porosity, the
smaller obstacles create smaller gaps between each obstacle. It is not easy
for the particles to pass through the smaller gap together. The configuration of
1-C and 1-D are similar; the results of 1-D are better than 1-C, so this research
chooses configuration 1-D. The same as 1-E and 1-F, which 1-E has the better
filtration effect. The real filter has the majority of 20 µm fibre and some 10 µm
fibre, so the configurations 1-A, 1-D and 1-E were worth including in further
studies. Further studies have chosen these three configurations as the
computational domain, but they will reduce the velocity or density.
Summing up the first group of simulations, the results were shown in Figure
25. 1-A has a good filtration effect; at 0.1 s of total filtration time, 68 particles
have been blocked, and the pressure drop was 1.6 Pa. For 1-B, it has shown,
the filtration effect was low; at 0.1 s, only 37 particles remained in the domain,
but the particles were not deposited or blocked by the filter material, and the
pressure drop was 0.42 Pa. For 1-C, the filtration effect was good, at 0.1 s 82
particles have been blocked by the filter material, and the pressure drop was
0.80 Pa. For 1-D, the filtration effect is better than 1-C, the simulation has
stopped at 0.0823 s, there were 77 particles that have been blocked and the
pressure drop was 254.8 Pa. For 1-E, the filtration effect was good, because
the simulation stopped at 0.0715 s, there were 55 particles that have been
blocked and the pressure drop was 29.8 Pa. For 1-F, the filtration effect was
not better than 1-E; in total 68 particles have been blocked at 0.1 s and the
pressure drop was 31 Pa. As these results have shown, number of particles
remaining or deposited inside the domain was one of the parameters to explain
the filtration effect. Pressure drop was another parameter; when the particles
have been stopped by the filter, the fluid and particles cannot pass the filter,
so the pressure has increased around the inlet area. Furthermore, filtration
time can explain the filtration effect. When the filters have been totally blocked,
neither fluid and particles can pass the filter, so the simulation stopped at this
time, lower filtration time meaning a higher filtration effect. 1-B has shown
when the simulation stopped at 0.1 s, there was no clear pressure drop; that
meant the particles and fluid were still moving, so 1-B was not suitable for
Chapter 5: Results and Discussion 71
further study. 1-C and 1-D were similar configurations, 1-D was better than 1-
C for the short filtration time, so 1-D has been selected for further studies. From
the similar configurations of 1-E and 1-F, 1-E have been selected.
Figure 25: Summary of simulations group 1, number of particle filtration at
different time, Φ=90%, 10 µm particles, v=0.1 m/s, ρ=2500 kg/m3
Another was to compare pressure drop and filtration fraction of all the
simulation results. Some of the simulations stopped at different filtration times,
due to the filters that have been totally blocked, so it is difficult to analyse the
filtration effect by using particle numbers. The particle injection rate is the
same, which is 1380 per second, so the filtration fraction can be calculated for
different filtration times. The filtration fraction for each simulation was: 1-A
54.4%, 1-B 29.6%, 1-C 65.6%, 1-D 74%, 1-E 61.5%, 1-F 54.4%. The
relationship between pressure drop and filtration fraction has been shown in
Figure 26. Configuration A has had good filtration fraction and low pressure
drop; it has had a good performance for a filter. D has had the best filtration
fraction for all the configurations when the injected particles had v=0.1 m/s,
ρ=2500 kg/m3. E has had good filtration fraction, and it has had the shortest
filtration time. The configurations A, D, and E have been selected to run the
other simulations.
0
10
20
30
40
50
60
70
80
90
A B C D E F
Nu
mb
er o
f p
arti
cles
0.02 s 0.04 s 0.06 s 0.08 s 0.1 s
72 Chapter 5: Results and Discussion
Figure 26: Relationship between pressure drop and filtration fraction,
Φ=90%, 10 µm particles, v=0.1 m/s, ρ=2500 kg/m3
5.3.2 Investigation and Comparison of Filtering with Same Density but Different Velocities
For 90% porosity filters, comparison of the influence from different initial
velocities when particles had the same density, has shown in Figure 27. For
configuration A, when the heavy particles (ρ=2500 kg/m3) had 0.1 m/s initial
velocity, the filtration fraction is 54.4%, but when the particles had 0.05 m/s
initial velocity the particle filtration was low. It was only 22.4%. for configuration
D; when the heavy particles have had 0.1 m/s initial velocity the filtration
fraction was 74%, when the particles have had 0.05 m/s initial velocity the
filtration fraction was 62.4%. For configuration E, when the initial velocity was
0.1 m/s, the filtration fraction was 61.5%; when the particles have had 0.05 m/s
velocity the filtration fraction was 93.4%. These results have shown, for heavy
particles, configuration A has had the better filtration efficiency for faster
AB C
D
E
F
0
20
40
60
80
100
120
140
160
180
200
220
240
260
20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Compare all the configurations
Chapter 5: Results and Discussion 73
particles, but very low efficiency for slow particles. Configuration D has had
good filtration efficiency for both fast and slow particles, but for fast particles
the pressure drop was very high, and it seemed the particles have totally
blocked the filter (Figure 27). Configuration E has had good results for fast
particles and the best results for slow particles.
Figure 27: Relationship between pressure drop and filtration fraction,
Φ=90%, 10 µm particles, ρ=2500 kg/m3 (heavy), v=0.1 m/s (fast) or
v=0.05 m/s (slow)
For light particles, the influence of initial velocity was shown in Figure 28.
Configuration A had a good filtration fraction and pressure drops for fast
(53.6%) and slow (57.6%) particles, with the pressure drops low (0.45 Pa for
fast particles & 0.71 for slow particles). These results have shown, for light
particles that the initial velocities had small influence. Configuration D had
better filtration results than configuration A in these conditions, but for the slow
particles, the filtration fraction was high (66.5%) and the pressure drop was
A, fast
D, fast
E, fast
A, slow D, slow
E, slow
0
20
40
60
80
100
120
140
160
180
200
220
240
260
20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Heavy particle, different velocity
74 Chapter 5: Results and Discussion
also high. The pressure drop was 562.3 Pa, which was the hightest pressure
drop for all the simulations. Configuration E had 80% filtration fraction for fast
particles, and 61.6% filtration fraction for slow particles. Also, the pressure drop
was 104.9 Pa for fast particles and 37.87 Pa for slow particles.
Figure 28: Relationship between pressure drop and filtration fraction,
Φ=90%, 10 µm particles, ρ=800 kg/m3 (light), v=0.1 m/s (fast) or v=0.05
m/s (slow)
5.3.3 Investigation and Comparison of Filtering with Same Velocity but Different Densities
From the simulations, these results kept the velocity as a constant, and
analysed influence of particle densities.
For the fast particles, the influence of densities has been shown in Figure 29.
For heavy and light particles, configuration A had very low influence when the
initial velocity is fast (0.1 m/s). Configuration D had low influence on particle
filtration; it has had only 4.4% difference of filtration fractions, but it has had
high influence on pressure drop, which in the heavy particles’ case had 254.8
Pa, while the light particles’ case has only 0.423 Pa. Configuration E has had
A, fastD, fast
E, fast
A, slow
D, slow
E, slow
0
50
100
150
200
250
300
350
400
450
500
550
600
20 30 40 50 60 70 80 90 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Light particle, diferent velocity
Chapter 5: Results and Discussion 75
low influence on pressure drop, which in the heavy particles’ case had 63 Pa,
and in the light particles’ case had 104.9 Pa. Furthermore, configuration E has
had better filtration effect for the light particles than heavy particles.
Figure 29: Relationship between pressure drop and filtration fraction,
Φ=90%, 10 µm particles, v=0.1 m/s (fast), ρ=800 kg/m3 (light) or ρ=2500
kg/m3 (heavy)
For slow particles, the influence of densities has been shown in Figure 35.
Configuration A had very limited filtration effect for heavy particles. The
influence of density for configuration D has shown that light particles have
higher pressure drop (561.851 Pa difference) than heavy particles, but the
filtration fraction (4.1% difference) was close. The influence for configuration E
had high difference on filtration fraction (31.8% difference) but low difference
on pressure drop (31.87 Pa difference).
A, heavy
D, heavy
E, heavy
A, light
D, light
E, light
0
40
80
120
160
200
240
280
20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Fast particle, different density
76 Chapter 5: Results and Discussion
Figure 30: Relationship between pressure drop and filtration fraction,
Φ=90%, 10 µm particles, v=0.1 m/s (fast), ρ=800 kg/m3 (light) or ρ=2500
kg/m3 (heavy)
5.3.4 Comparison of Filtering for Different Filter Configurations (A, D, E) with Different Initial Parameters
Comparison of all the results of each configuration has been shown in Figure
31.
Configuration A had one case (slow, heavy particle) less than the 20% filtration
fraction. The other three simulations of configuration A were very close; the
maximum pressure drop was 1.6 Pa, the minimum pressure drop was 0.409
Pa; the maximum filtration fraction was 57.6%, the minimum filtration fraction
was 53.6%.
Configuration D has good filtration effect for all the conditions, as the filtration
fractions were all higher than 60%. Changing the input parameters, the
filtration fraction was not very heavy, the maximum filtration fraction is 74%,
A, heavyD, heavy
E, heavyA, light
D, light
E, light
0
50
100
150
200
250
300
350
400
450
500
550
600
20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Slow particle, different density
Chapter 5: Results and Discussion 77
and the minimum was 62.4%. However, for slow and light particles’ simulation,
the pressure drop was very high (562.3 Pa).
Configuration E has had very good filtration effect, as all the filtration fractions
were higher than 60%. For the slow and heavy particles, it has had the best
filtration effect, which is 93.4%, and the pressure drop was low, 6 Pa.
Comparing all the simulations of configuration E, between each case, the
difference of pressure drop was not very high. The maximum pressure drop of
configuration E was fast and light particle simulation, with the pressure drop
being 104.9 Pa.
78 Chapter 5: Results and Discussion
Figure 31: Comparing the simulation results in each configuration,
Φ=90%, 10 µm particles, v=0.1 m/s (fast) or v=0.05 m/s (slow), ρ=800
kg/m3 (light) or ρ=2500 kg/m3 (heavy)
fast, heavy
slow, heavy
fast, light
slow, light
0
0.2
0.4
0.6
0.8
1
1.2
1.4
1.6
1.8
20 30 40 50 60 70 80 90 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Configuration A
fast, heavy
slow, heavy fast, light
slow, light
050
100150200250300350400450500550600
20 30 40 50 60 70 80 90 100
pre
ssu
re d
rop
s (P
a)
filtration fraction (%)
Configuration D
fast, heavy
slow, heavy
fast, light
slow, light0
102030405060708090
100110120
20 30 40 50 60 70 80 90 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Configuration E
Chapter 5: Results and Discussion 79
5.4 Summarise and Analyse the Simulation Results of the Filter with
90% Porosity
It has been shown that from the first group of simulations, configuration A, D
and E had the better filtration effect than the other configurations for the fast
and heavy particles, so configuration A, D and E with 90% porosity had been
selected. These three configurations can run the simulations with other
conditions, to analyse the filtration mechanism by implementing LBM-DEM
model. LBM approach had better performance for slow flows, so it can for fast
flows, it may work for slower flows. The initial or input parameters were particle
densities and velocities. Then, filtration time, filtration fraction, and pressure
drop were the three results to analyse the filtering efficiency.
All the simulation results have been compared in different conditions. The real
filters considered higher filtration fraction and lower pressure drop (Rahimi
Kord Sofla, 2015). These three results can analyse that the selected
configurations had good effect to remove PN of 10 µm particles for almost all
conditions. Only configuration A had limited filtration effect to remove slow and
heavy particles. Although configuration A had one condition with lower filtration
effect, the pressure drops were the lower than the other configurations, all the
pressure drops were lower than 1.6 Pa. Configuration D had good filtration
effect, but higher pressure drops for some conditions. Configuration E had the
better balance of pressure drop and filtration fraction for all conditions. In some
conditions the particles have blocked the filters, then the simulations would
stop earlier than 0.1 s, the short simulation time always followed higher
pressure drops. The filter design of durability, this would be an important
parameter. As some researchers gave some results of experiments, in some
conditions the removal of 10 µm particles are more than 95%, also the larger
particles are easier to remove (Yu et al., 2017 & Park et al., 2014). Thus, the
three results can be used for study filtering with other conditions.
80 Chapter 5: Results and Discussion
5.5 Filtration Effect of 10 µm Particles Flow Through Filters of 75%
Porosity
The filter materials have been compressed to 75% porosity. The computational
domains were reduced, and the gap between each obstacle were smaller than
90% porosity filters. The particles were more difficult to smaller gaps, shown
in Figure 32. The filtration fraction of configuration A was 98.3% at 0.07 s, D
was 86.5% at 0.086 s, E was 87.5% at 0.0933 s. These were very high
percentage of particles’ removal. Due to the porosity has reduced to 75%, the
filtration effect has increased, so the filtration time were all stopped earlier than
0.1 s. Then, the pressure drop of D and E were small, but for A was high.
a,
t=0.07 s
b,
t=0.086 s
c,
t=0.0933 s
Figure 32: Simulation results of Φ=75% configurations, v=0.05 m/s,
ρ=800 kg/m3, a, configuration A, b, configuration D, c, configuration E
5.6 Compare the Simulation Results between Φ=75% & Φ=90%
Summing up the simulations, the 75% porosity has very good filtration effect
for these simulations. The three cases have similar particle deposition, as
shown in Figure 33. The particles are well-distributed on the filter. Due to the
Chapter 5: Results and Discussion 81
filter change on the smaller porosity, the distance between obstacles is
smaller, so the particles cannot easily pass through the gap of obstacles. All
the cases are stopped earlier than 0.1 s. In comparing with similar cases of
90% porosity, the filtration effect is better than those cases, as shown in Table
12. All the results show that the smaller porosity has better filtration effect in
these simulations.
Table 12: Results of 75% porosity simulations
Configurations Number of
particles
Filtration time
(s)
Pressure
drops
(Pa)
Φ=75%,
v=0.05
m/s, ρ=800
kg/m3
A 86 0.07 508
D 98 0.086 6.4
E 102 0.0933 4.0
Φ=90%,
v=0.05
m/s, ρ=800
kg/m3
A 72 0.1 0.71
D 69 0.095 562.3
E 77 0.1 37.87
82 Chapter 5: Results and Discussion
Figure 33: Comparison of 90% porosity and 75% porosity simulations, 10
µm particles, v=0.05 m/s (slow), ρ=800 kg/m3 (light)
A, 90%
D, 90%
E, 90%
A, 75%
D, 75% E, 75%0
50
100
150
200
250
300
350
400
450
500
550
600
20 30 40 50 60 70 80 90 100
pre
ssu
re d
rop
(P
a)
filtration fraction (%)
Φ=75% vs Φ=90%
Chapter 6: Conclusions 83
Chapter 6: Conclusions
To study the mechanism of DPM filtration, for reducing environmental impact,
this research has used the numerical method modelling the particle-fluid flows
through the idealised filter materials. The open source library, Mechsys, has
been applied, which has coupled LBM and DEM methods. The findings have
shown LBM-DEM can study micron particle filtrations.
This research presents the implementation of LBM-DEM for the modelling of
particle filtration. The method has been validated, and shown to be suitable for
this research. LBM-DEM has the advantages of micron scale fluid flow
simulation and complex porous media simulation. The cross section of fibrous
filters can be observed as porous media.
The idealised filters and particle-fluid mixture of diesel exaust have been
applied. This research has studied the filtration of 10 µm particles. The results
have shown the idealised filter configurations have different filtration effects.
Then, the configurations with better results have been selected, which are
configurations A, D, and E. These configurations of filter design can precede
further studies, as references. The input parameters have considered the
density of 10 µm particles, and particle initial velocity. The results have
concentrated on filtration fraction and pressure drops. The high filtration
fraction and low pressure drop are the aims of investigating the filtration effect.
The results of this research have shown the spherical particles of 10 µm
diameter can be filtered by some designs of filter when the filter has porosity
of 90% or 75%. The particle initial velocity and particle density are the only
conditions affecting the filtration process. Configuration A of 90% porosity has
better filtration effect for some conditions but not all conditions. Also,
Configuration A of 90% porosity created very low pressure drops for all
conditions, but for 75% porosity the pressure drop is higher than configurations
D and E of 75% porosity. Configuration D of 90% porosity has better filtration
effect than configuration A, but this created a high pressure drop for slow-light
84 Chapter 6: Conclusions
and fast-heavy conditions. The input parameter affects pressure drop
obviously. Configuration E of 90% porosity has good filtration effect and low
pressure drop. The fast particles created higher pressure drop than slow
particles obviously. The filters of 75% porosity have a better filtration effect
than the filters of 90% porosity for A, D, and E configurations when the particles
have small density and low initial velocity.
In conclusion, the LBM-DEM approach is able to study DPF filtration
processes. This research has illustrated LBM-DEM model make the filtration
of micro-particle number more clear, which is the weakness of real experiment.
The largest DPM with large or small initial velocities and densities have been
applied in this research, these parameters can influence the filtration
efficiency. Change of initial velocity and density, configuration E has lower
influence. Also, this research has studied similar filter configerations with
different porosities, the smaller porosity has better filtration efficiency than
larger porosity. It is shown that LBM-DEM model can help researches to design
and improve the DPF, and find out the filtration mechanism of the filter.
There are some limitations of this research, but further study to continue this
research would be worthy. This research has only studied the filtration of 10
µm particles, as this is the biggest particulate matter of diesel exaust. For
further study, the smaller particles can be applied, and then the concentration
of different particle sizes. Also, this research has only considered two different
velocities, whereas the further research can simulation different velocities. This
research is a 2D simulation, but for further studies, 3D simulations can be
applied.
Bibliography 85
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