Technische Chemie
Computer Aided Synthesis, Designand Optimization of Chemical Processes
Development of thermodynamic models:UNIFAC, Mod. UNIFAC (Do), PSRK, LIFAC, ...
Development of Software Tools:Selection of selective solvents,construction of residual curves, fitting of recom. model parameters,environment protection,laboratory safety,CAMD, ...
Pilot plants:e.g. for reactive distillation
methanol
acetic acidmethyl acetate
water
reaction
extractive distillation
methanol stripper
}}
}
uebrshte.cdr, 13.09.99
x P = y Pi i i iγ S f = fiL i
Vx = yi i
L i iVϕ ϕ
(e.g. VLE)
Research activities
DECHEMA
Thermodynamik
Dortmund Data Bank:VLE, h , ...
P , , c
E
is
v P∆h , ...
Measurements of phase equilibria, excess properties, pure component properties, kinetic data, ... in a wide temperature and pressure range
Development of sophisticatedexperimental facilities:
TP
www.uni-oldenburg.de/tchemie
Aspects to be Considered During the Synthesis of Separation Processes
Technische Chemie
Separation Process
?
?
?
?
?
Nth=?
?x1
x1
y1
Tα12 =
γ1 1sP
γ2 2sP
≈ 1
Suitable Solvent for Extractive or Azeotropic Distillation ?
?ABCD
AB
CD
A
B
C
D
S =n[2(n-1)]!n! (n-1)! Tn-1
Distillation? Crystallization?
Separation Problems ?
Sequence ?
Column Height ?
sepproc1.cdr; 04.05.99
Ruhrchemie / Rhone-Poulenc ProcessRCH_RP_process.cdr, 06.11.2000
CO + H2
51 bar
55 bar
gas solubilitiesVLE
reaction kineticsgas solubilitiespartition coefficientsLLEVLEco-solvent ?
reactor design:
stripper design:
phases:
aqueousorganicgas / vapor
propylene + CO + H2
crude (n/i)-butyraldehyde
(n / i) butyraldehyde
125 °C
propylene
Technische Chemie
HRh(CO)[P(C H SO Na) ]6 4 3 3 3
Technische Chemie
Prediction of a Chemical’s Fatein the Various Environment Compartments
ri
γi
ϕi
KOW_dist.cdr
air
soil
water
sediment
aerosol
K = 0.0082 Ksoil-water OW
K = v · H / RTair-waterW
i,W
K = = 0.1508 · OW
= v · · P / RTWi
,Wisγ ∞
γi ,W∞
γi ,O∞
K = 0.045 Kfish-wate r OW
K = 0.0164 Ksedimen t-water OW
≈ (1/c ) is,W · P / RTi
s
=BCF
ciO
ciW
Technische ChemieMeasurements in our research group
ri
γi
ϕi
ri
γi
ϕi
solid-liquid equilibria (visual technique) -90°C < T < 50°C P = Patm
vapor-liquid equilibria (static and dynamic apparates) T up to 190°C P up to 120 bar
(batch and flow reactors) T up to 100°C P up to 10 bar
kinetics
adsorption equilibria (flow apparatus) 0° < T < 50°C P = Patm
(spinning band column) T up to 150°C P up to 3 bar
azeotropic data
(GLC or Dilutor-technique) 0°C < T < 150°C P = P atm
activity coefficientsat infinite dilution
pure component properties (various apparates) T up to 150°C P up to 600 bar
(flow calorimeter)25 °C < T < 150°C P up to 150 bar
excess enthalpies
cP
ηρ
PiS
γi
8
More details on: www.ltp-oldenburg.de
Status of the Dortmund Data Bank* (April 2002)41000 References, 1800 Journals, 15000 Compounds
DDB
22900 (VLE)
2917 (ELE)
19398 (HPV)
VLE**
(total: 45215 data sets)
* detailed information is available via internet (www.ddbst.de) ** including unpublished VLE data of companies from the former German Democratic Republic
40769 data points for pure solvents
885 data points for solvent mixtures
10769 data sets for non-electrolytes
3528 data sets for electrolytes
12943 data sets
45716 data points
13861 data sets3067 data sets
16423 data sets
1483 data sets
15865 data sets
130219 data sets
LLE
azeotr. data
GLEADSvE
cPE
hE
DDBstat3e.cdr, 17.05.2002
(E)SLE
Pure Component Properties
Status of DDB-Pure (April 2002)
Pure_April_2002.xls
Property Compounds References Sets PointsVapor Pressures 5000 5473 19661 140275Critical Data 884 835 3071 3073Densities 6869 5183 35344 258573Virial Coefficients 267 414 1244 6737Molar Heat Capacities 1874 1390 7647 120688Heats of Vaporization 2151 966 4385 9549Heats of Fusion 1652 989 2767 2806Melting Points 4485 2576 11303 12042Transition Heats / Temperatures 645 546 1168 1183Entropies 1436 876 2566 7556Heats of Combustion / Formation 3700 1420 4933 4940Viscosities 2091 2172 15190 91907Thermal Conductivity 762 876 8365 76285Surface Tensions 1992 569 4363 18987... ... ... ... ...Sum 13321 16833 130218 840619
per_year.doc, 03.11.2000
Typical Number of Mixture Data Sets* Published Every Year
Vapor-liquid equilibriaa) normal boiling substances: 800 data setsb) low boiling substances: 1000 data setsc) electrolyte systems: 200 data sets
Activity coefficients of infinite dilution: 1250 data points
Azeotropic data: 1000 data points
Liquid-liquid equilibria: 400 data sets
Solid-liquid equilibria: 400 data sets
Gas solubilities: 700 data sets
Excess enthalpies: 600 data sets
Excess volumes: 1200 data sets
Sum: 5300 data sets + 1250 γ∞ + 1000 az. data
*data set = isothermal, isobaric, ..., (appr. 15 data points)
Technische Chemie
Availability of the Dortmund Data Bankavailability.cdr, 03.11.2000
inhouse-version
DD B
ortmundata ank
Internet
www.dechema.de
integrated in user interface
andavailable via internet
ASPEN PlusDETHERM Data Base(www.fiz-karlsruhe.de)
responsible:FIZ CHEMIE
www.ddbst.com(free data directory)
Textbooks:DECHEMA Data Series
and VCH-Wiley
inhouse-version
software package
(free demo version)DDBSP
Different Applications of DDB
DDB(MIX, PURE
Data Base for Fitting (gE, EOS)-Model Parameters
(Recommended Values)
Validation ofParameters
Prior to ProcessSimulation
Development of Thermodynamic Models (UNIFAC, mod. UNIFAC, PSRK, ...)
Publication of Data Compilations (DECHEMA Series, Azeotropic Data)
Selection of Selective Solvents by DDB-Access
planned:Publication of Recommended Values as f(T,P),
Data Compilations
Further Development ofPrediction Methods for
Pure ComponentProperties
Computer AidedMolecular
Design(ARTIST, ...)
benzene in ethanol
ethanol in benzene
1000 / T [K]
h [J
/mol
]E
ideal vapor phasereal vapor phase
data base: VLEdata base: VLE, h , E γ
Technische Chemie
Simultaneous Correlation (Wilson)Ethanol (1) + Benzene (2)
ri
γi
ϕi ri
γi
ϕi
180 mmHg300 mmHg450 mmHg760 mmHg
90°C45°C25°C
1.0
3.0 250.
1.0
3.6
1.0
1.0
0.8
2.6 200.
0.8
3.4
0.8
0.8
0.6
2.2 150.
0.6
3.2
0.6
0.6
0.4
1.8 100.
0.4
3.0
0.4
0.4
0.2
1.4 50.
2000.
1000.
1500.
500.
0.0.2
2.6 2.8
0.2
0.2
0.0
1.0 0.
0.0
2.4
0.0
y 1
x1 x1
y1,az
ln γ
i∞
Tem
pera
ture
[°C]
1131wilson_e.cdr, 08.11.2000
Technische Chemie
DDB: An Ideal Tool for the Critical Examination of Model Parameters:
Acetone (1) + Cyclohexane (2) (Wilson)ri
γi
ϕi
azeotropic data
cyclohexane in acetoneacetone in cyclohexane
0oC
25oC
50 Co 25 Co35 Co
14 0 Co
SLE
P /
mm
HgTe
mpe
ratu
re /
°C
Tem
pera
ture
/ °C
x , y1 1
x1
x1y1,az
VLE
1000·T /K-1
ln γ i
γi
8
8
h /
J·m
olE
-1
hE
wilson.cdr, 18.05.99
data_base.doc, 03.11.2000
Models Developed With the Helpof the Dortmund Data Bank
Model Data Base Used for Fitting the Parameters
UNIFAC: VLE (LLE, γ∞)
Modified UNIFAC (Dortmund): VLE, hE, SLE, γ∞ ,LLE, azeotropic data (cPE)
KOW-UNIFAC: KOW, γ∞ , water solubilities
LIQUAC / LIFAC: VLE, osmotic coefficients, γ±,SLE, LLE of electrolyte systems
PSRK: VLE of low boiling systems, gas solubilities
extended PSRK: VLE for asymmetric mixtures + LIFAC model
original UNIFACri
γi
ϕi
P / mmHg
ϑ / °C
h / J·mol
E-1
number of carbon-atoms
acetone + heptane
acetone + heptane
F = VLE (+ LLE + )Σ Σ Σ γ 8
no quantitativeinfomationabout (T)γ
∂ γln i iEh�
��� = !
no data forcompounds
of very different size
extrapolation to infinitedilution can be
dangerous
0°C
40°C
50°C
x , y1 1
γ heptane in n-alkanes
8γ heptane in acetone
γ acetone in heptane
8
8
x1
90°C35°C10°C
0.0 0.5 1.0
0.0 0.5 1.0
20. 40. 60. 80. 100. 0.0 25. 50.
700.
400.
300.
200.
100.0.
500.
600.
1.2
1.0
0.8
0.6
0.4
0.2
2000.
1000.
0.
10.
8.
6.
4.
2.
unifac1.cdr, 14.06.99
Modified UNIFAC (Dortmund)ri
γi
ϕi
0°C
35°C
55°CP / mmHg
x , y1 1
T / °C0. 40. 80.
16.
12.
8.
140°C 90°C25°C
x10. 0.5 1.0
2000.
1000.
0.
h / J·mol
E-1
acetone + cyclohexanenumber of carbons
0. 25. 50.
1.0
0.2
γ hexane in alkanes
8γ cyclohexane in aniline
8
acetone + aniline
∂ γln Eh� �
F = VLE + LLE + Σ Σ Σ γ
+ h + cΣ ΣEPE
+ SLEΣ+ AZDΣ
8
quantitative infomation about
(T) using enthalpies of mixing
γ
improved results for asymmetric mixtures
using a modified combinatorial part
mixtureinformation of
the dilute regionare used for
fitting
!
0. 0.5 1.0
1000.
500.
0.
∂ γ∂ln i i
E
T
hR1
�
�
��
�
�
��
= !∂ γ∂ln i i
E
T
hR1
�
�
��
�
�
��
= !
-100 0 100 200
h (c )E EP
VLE (azeotropic data)
LLESLE
ϕi is
, P
∂ γ∂ln i i
E
T
hR1
�
�
��
�
�
��
=
ln ,
,x
hRT
TTi i
m i
m iγ = − −
�
���
�
���
∆1 γ γi i
' ' '
Temperature / °C
γ ∞
Technische Chemie
Temperature Ranges of Thermodynamic Mixture Data
ri
γi
ϕi
Ψnm= -(a + b T + c T )nm nm nm 2
Texp
Ψnm= -anm
Texp
Modified UNIFAC (Dortmund):
UNIFAC:
F = VLE + LLE + Σ Σ Σ γ
+ SLE + h + cΣ Σ ΣEPE
+ AZDΣ
8
F = VLE (+ LLE + )Σ Σ Σ γ 8
123456789
10111213141516171819202122232425262728293031323334353637383940414243444546
12
34
56
78
910
1112
1314
1516
1718
1920
2122
2324
2526
2728
2930
3132
3334
3536
3738
3940
4142
4344
4546
4748
49
CH2
C=CACHACCH
2
OHCH OH3
H O2
ACOHCH CO
2
CHOCCOOHCOOCH O2
CH NH2 2
CH NH2
(C)3NACNH
2
PyridinCH CN2
COOHCClCCl
2
CCl3
CCl4
ACClCNO
2
ACNO2
CS2
CH SH3
FurfuralDOHIBr
DMSOAcrylClC=CACFDMFCF
2
COOCY-CH
2
CY-CH O2
HCOOHCHCl
3
CY-CONC
C C
474849
CONR
ACSEpoxy
50515253545556575859
CONR2
HCONRACCNNCO
AnhydridesCarbonatesSulfonesACCHOACCOOHACCOO
5051
5253
5455
5657
5859
mouni(do.cdr, 11.10.00
60 OCCOH 60
46 cy-CONC47 CONR48 CONR
2
49 HCONR50 ACCN51 NCO52 ACS53 Epoxy54 Anhydrides55 Carbonates56 Sulfones57 ACCHO58 ACCOOH59 ACCOO60 OCCOH61 CH S
2
New Structural Groups:
Modified UNIFAC (Dortmund) Parameter MatrixDecember 2000
previously published parametersGmehling, J., Li, J., Schiller, M., Ind. Eng. Chem. Res. 32, 178-193 (1993)
Gmehling, J., Lohmann, J., Jakob, A., Li, J., Joh, R.,Ind. Eng. Chem. Res. 37, 4876-4882 (1998)
new or revised parameters (delivery 1996)
new or revised parameters (delivery 1997)
new or revised parameters (delivery 1998)
new or revised parameters (delivery 1999)
new or revised para-meters (delivery 2000)
no parameters available
61 CH S2
6162
63
62 Lactames63 Lactones
6263
LactamesLactones
new or revised para-meters (in progress,totally 103 parameters)
6464 Peroxides64 Peroxides
123456789
10111213141516171819202122232425262728293031323334353637383940414243444546
12
34
56
78
910
1112
1314
1516
1718
1920
2122
2324
2526
2728
2930
3132
3334
3536
3738
3940
4142
4344
4546
4748
49
CH2
C=CACHACCH2
OHCH OH3
H O2
ACOHCH CO2
CHOCCOOHCOOCH O2
CH NH2 2
CH NH2
(C)3NACNH2
PyridinCH CN2
COOHCClCCl2
CCl3
CCl4
ACClCNO2
ACNO2
CS2
CH SH3
FurfuralDOHIBr
DMSOAcrylClC=CACFDMFCF2
COOCY-CH2
CY-CH O2
HCOOHCHCl3
CY-CONC
C C
474849
CONR
ACSEpoxy
50515253545556575859
CONR2
HCONRACCNNCO
AnhydridesCarbonatesSulfonesACCHOACCOOHACCOO
5051
5253
5455
5657
5859
mouni(do.cdr, 12.12.01
60 OCCOH 60
46 cy-CONC47 CONR48 CONR2
49 HCONR50 ACCN51 NCO52 ACS53 Epoxy54 Anhydrides55 Carbonates56 Sulfones57 ACCHO58 ACCOOH59 ACCOO60 OCCOH61 CH S2
New Structural Groups:
published parameters I and II
published parameters III - VI
new or revised parameters (delivery 1997)
new or revised parameters (delivery 1998)
new or revised parameters (delivery 1999)
new or revised para-meters (delivery 2000)
no parameters available
61 CH S2 6162
63
62 Lactames63 Lactones
6263
LactamesLactones
new or revised para-meters (delivery 2001)
6464 Peroxides
64 Peroxides
7475
76
747576
AcetalsACNR2ACNHR
74 Acetals75 ACNR276 ACNHR
new or revised para-meters (in progress,totally 87)
77 Furan 7777 Furan
December 2001
Technische Chemie
Experimental and Predicted (Modified UNIFAC (Dortmund))Data for the System Ethanol (1) + Benzene (2)
ri
γi
ϕi
1131modu_e.cdr, 03.11.2000
x1 x1
y1,az
x1
y 1
h /
J·m
ol-1
E
140°C90°C45°C25°C
760 mm Hg400 mm Hg300 mm Hg180 mm Hg
Temperature [°C]
Tem
pera
ture
[°C]
Tem
pera
ture
[°C]
γbenzene in ethanol
8
γethanol in benzene
8
γi
8
γ 8
VLE
azeotropicpoints
SLE
hE Modified UNIFAC (Dortmund)
ideal
Technische Chemie
Deviations between experimental and calculated VLE-Data for 2200 consistent Data Sets
ri
γi
ϕi
T [K]∆
0.55
0.87
1.68
∆ P [kPa]
0.42
0.68
1.06
∆ y [%]
0.58
0.88
1.41
UNIQUAC Modified UNIFAC (Dortmund) UNIFAC
Technische Chemie
Objectives of the “UNIFAC consortium”(UNIFAC and Modified UNIFAC (Dortmund))
ri
γi
ϕi
filling gaps (DDB, additional measure- ments or confidential data)
extension with the view to new groups {
examination and (if necessary) revision (DDB)
improvement of predictions for hydrocarbon / water solubilities: improvement of predictions for isomeric compounds consideration of proximity effects
additionally:�
�
�
� eventually filling gaps using molecular-modelling results (e.g. COSMO-RS) ( )all missing parameters ( 1400) ?; only parameters of special interest ?≈
�
�
�
�
�
�
�
�
�
published parameters
new or revisedparameters
no parameters fitted
original UNIFAC parametersInd. Eng. Chem. Res. 30, 2352 (1991)
70, 251 (1991)and 121, 185 (1996)
PSRK parametersFluid Phase Equilibria
Fluid Phase Equilibria
Fluid Phase Equilibria
141, 113 (1997)
167, 173 (2000)
PSRK parameters
NH3CO2CH4O2ArN2H2SH2CO
SO2NON2OSF6HeNeKrXeHFHClHBrHICOS
F2Cl2Br2HCNNO2CF4O3ClNO
12
34
56
78
910
1112
1314
1516
1718
1920
2122
2324
2526
2728
2930
3132
3334
3536
3738
3940
4142
4344
4546
4748
4950
51
5556
5758
5960
6162
63
6566
6768
6970
7172
7374
7576
7778
7980
8182
8384
85
PSRK parameters
latest progressPSRK parameters
Status of the PSRK Parameter Matrix(November 2000)
Technische Chemie
Fields of application for thermodynamic models
riγi
ϕi
knowledge of the real mixturebehavior ( , , PVT) required for
γ ϕi i
synthesis of separation processes (selection of selective solvents, optimum separation sequence,...) design of
separation columns (N )th
chemical reactions(selection of co-solvents for biphasic reactions,
kinetic expressions, ...)
analytical purposes (GLC, ..)
diffusional mass transfer
safety aspects (flash points, ...)
calculation of thermodynamicproperties (h, s, ..., h , h (P), ...)∆ ∆v R
calculation of phase equilibria(VLE, LLE, SLE, GLE, ...)
calculation ofexcess properties (h , c , v , ...)E
PE E
standard properties ( h , g )∆ ∆B
oBo
chemical equilibrium (K , K )γ ϕ
labor safety(safety clothes, exposition, ...)
environmental protection(K fate of a chemical, bioaccumulation, ...)
OW →
Calculation ProgramsParameter Fitting
PCPPresentation Programs
Technische Chemie
D D B S Portmund ata ank oftware ackage (DDBSP)ri
γi
ϕi
DDB - Mixture DataVLE h ACT GLE LLE AZD SLE ...E
DDB - Pure Component DataP c crit. T h i
sP m fusη ∆
Recommended ValuesRecommended Values
PredictionPrediction
Wilson NRTL UNIQUAC SRK PR ...
UNIFAC Mod. UNIFAC (Do) ASOG PSRK ...
...
Phase EquilibriaSimulation ProgramsFlash Points
UNIFACMod. UNIFAC (Do)PSRKLIQUAC
experimentalcorrelatedpredicted
DiagramsTables
DDBSP_win.cdr; 06.11.2000
www.ddbst.de
Azeotropic data for the quaternary systembenzene(1)-cyclohexane(2)-acetone(3)-ethanol(4)
predicted (mod. UNIFAC (Do)) experimental*
system type ofazeotrope
ϑϑϑϑ / °C y1,az y2,az type ofazeotrope
ϑϑϑϑ / °C y1,az y2,az
1-2 homPmax 77.5 0.543 homPmax 77.6 0.5431-3 none none1-4 homPmax 68.0 0.537 homPmax 67.9 0.5522-3 homPmax 54.3 0.221 homPmax 53.2 0.2482-4 homPmax 65.3 0.545 homPmax 64.8 0.5533-4 none none
1-2-3 none none1-2-4 homPmax 65.1 0.126 0.441 homPmax 64.9 0.113 0.4621-3-4 none none2-3-4 none none
32
14
4
4
(1) 56.4 °C (2) 61.1 °C (3) 64.9 °C (4) 155.0 °C (1)-(2) 64.4 °C (1)-(3) 59.6 °C (2)-(3) 53.7 °C(1)-(2)-(3) 57.8 °C
Residual Curves and Distillation Border Plain of the SystemAcetone(1) - Chloroform(2) - Methanol(3) - Cyclohexanone(4)
Mod. UNIFAC (Do)P = 1 atm
stable pointsaddle pointinstable point
Residue_quat_1e.ppt
Technische Chemie
Azeotropic and Extractive Distillationri
γi
ϕi
cyclohexane benzene
entrainer
cyclohexane+ benzene
benzene +entrainer
Formation of a low boiling binary or ternary (hetero-) azeotrope
1 2α12 =γ1 1
sPγ2 2
sP≈ 1
S = 12
γ1,entrainer
8
γ2,entrainer
8
8
Azeotropic Distillation
Extractive Distillation
cyclohexane in aniline
benzene in aniline
1000 / T[K]
ln γi
8 Mod. UNIFAC (Do)exp. data
>>1 (<<1)
pyridine (3)115.23°C
water (1)100.00°C
109.98°C
95.36°C
84.63°C
M
A
S
toluene (2)110.61 °C
F
A A
S
F
pyridinewater
toluene
1 2
spezdes2.cdr, 19.07.99
Input:ComponentsPressure (Temperature)Distillation Process
Examination of the binary VLE behavior
Search of binary data (azeotropic data, )
for component 1 and 2γ∞
Search of ternary data with
component 1 and 2
Output:List of suitable solventsincluding experimentalinformation
Selection criterion fulfilled ?
Determination of and T (P )
for given P(T)α ∞
12 az az
Technische Chemie
Selection of Selective Solvents by DDB Access
ri
γi
ϕi
DDB-MIXazeotropic data(43000 values)
(34400 values)γ∞
Recommendation of alternative distillation processes in case of:1. Zeotropy2. Heteroazeotropy3. Strong pressure dependence of y4. Zeotropy at low (high) pressure
az
components to be separated: (1) ACETIC ACID (2) WATER
list of solvents introducing one further binary azeotrope (with pressure maximum)-----------------------------------------------------------------------------------------selective solvent (3) types of azeotropes introduced : Tb(az,bin.)Tb(az,ter.) Tm(3)
(1)-(3) (2)-(3) (1)-(2)-(3) [K]-----------------------------------------------------------------------------------------CYCLOPENTANONE none hetPmaxMisgap n.a. 367.75 --- 222.503-PENTANONE none hetPmaxMisgap n.a. 355.98 --- 234.15ETHYL PROPIONATE none hetPmaxMisgap n.a. 353.15 --- 199.25BUTYL ACETATE none hetPmaxMisgap noneMisgap 363.81 --- 199.70PROPYL ACETATE none hetPmaxMisgap noneMisgap 355.52 --- 178.00DIPROPYL ETHER none hetPmaxMisgap n.a. 348.55 --- 147.05DIETHYL ETHER none hetPmaxMisgap n.a. 307.34 --- 156.85DIBUTYL ETHER none hetPmaxMisgap n.a. 366.65 --- 175.302-PENTANONE none hetPmaxMisgap n.a. 356.15 --- 196.25DIISOPROPYL ETHER none hetPmaxMisgap none 336.15 --- 186.35ETHYL BUTYL ETHER none hetPmaxMisgap n.a. 349.15 --- 149.151,2-DICHLOROETHANE none hetPmaxMisgap noneMisgap 344.80 --- 237.65DICHLOROMETHANE none hetPmaxMisgap none 311.25 --- 178.01ISOPENTYL ACETATE none hetPmaxMisgap n.a. 366.95 --- 195.15DIISOBUTYL KETONE none hetPmaxMisgap n.a. 370.15 --- 227.172,3-BUTANEDIONE none hetPmaxMisgap n.a. 351.60 --- 270.75METHYL PROPIONATE none hetPmaxMisgap n.a. 344.75 --- 185.70BUTYL PROPIONATE none hetPmaxMisgap n.a. 367.95 --- 183.65... ... ... ... ... ... ...-----------------------------------------------------------------------------------------
P = 101.32 kPa Tb(1) = 391.01 [K] Tb(2) = 373.15 [K]
DDB access
Tec hnische Chemie
Typical Result for the Search of Suitable Solvents by DDB Access
ri
γi
ϕi
solvent (3)-----------------CYCLOPENTANONE3-PENTANONEETHYL PROPIONATEBUTYL ACETATEPROPYL ACETATEDIPROPYL ETHERDIETHYL ETHERDIBUTYL ETHER
...
(1) ACETIC ACID (2) WATERazeotropic distillation: one further
(heterogeneous pressure maximum) azeotropeDDB access; P = 101.32 kPa
azeotrope introduced:(2) - (3) Tb [K]
--------------------hetPmaxMisgap 367.75hetPmaxMisgap 355.98hetPmaxMisgap 353.15hetPmaxMisgap 363.81hetPmaxMisgap 355.52hetPmaxMisgap 348.55hetPmaxMisgap 307.34hetPmaxMisgap 366.65... ...
seloutde.cdr ; 04.05.99