11
Effects of bulk particle characteristics on backscattering and optical closure Grace Chang 1* and Amanda L. Whitmire 2 1 Sea Engineering, Inc., 200 Washington St., Suite 210, Santa Cruz, CA 95060, USA 2 College of Oceanic & Atmospheric Sciences, Oregon State University, Corvallis, OR 97331, USA *Corresponding author: [email protected] Abstract: Optical closure is essential for the determination of biogeochemical properties from ocean color remote sensing information. Mie scattering theory, a radiative transfer model, and a semi-analytical inversion algorithm were used to investigate the influence of particles and their properties on optical closure. Closure results were generally poor. Absorption coefficient (a t ) inversions were more accurate for moderate particle size distribution slopes (3.50 ξ 3.75). The degree of success in the derivation of the backscattering coefficient (b bp ) was highest at moderate indices of refraction (1.15 n p 1.20) and high values of ξ (> 3.75). Marked improvements in the estimates of b bp were enabled by a priori knowledge of b bp at one wavelength. At moderate values of n p , derivations of a t and b bp were within 25% of Mie-modeled values when Gershun’s relationship was used in combination with the semi-analytical algorithm. © 2009 Optical Society of America OCIS codes: (010.4450) Ocean optics; (120.0280) Remote sensing. References and links 1. Z. –P. Lee (ed.), “Remote sensing of inherent optical properties: Fundamentals, tests of algorithms, and applications,” in Reports of the International Ocean-Colour Coordinating Group, No. 5, (IOCCG, 2006). 2. C. D. Mobley, Light and Water: Radiative Transfer in Natural Waters (Academic Press, 1993). 3. H. C. van de Hulst, Light Scattering by Small Particles (Dover, 1981). 4. C. J. Bohren and D. R. Huffman, Absorption and Scattering of Light by Small Particles (John Wiley, 1983). 5. J. R. V. Zaneveld, “Remotely sensed reflectance and its dependence on vertical structure: A theoretical derivation,” Appl. Opt. 21, 4146-4150 (1982). 6. J. T. O. Kirk, “Dependence of relationship between inherent and apparent optical properties of water on solar altitude, “Limnol. Oceanogr. 29, 350-356 (1984). 7. H. R. Gordon, “Dependence of diffuse reflectance of natural waters on the Sun angle,” Limnol. Oceanogr. 34, 1484-1489 (1989). 8. A. Morel and B. Gentili, “Diffuse reflectance of oceanic waters: its dependence on Sun angles as influenced by the molecular scattering contribution,” Appl. Opt. 30, 4427-4438 (1991). 9. J. E. O’Reilly, S. Maritorena, B. G. Mitchell, D. A. Siegel, K. L. Carder, S. A. Garver, M. Kahru, and C. McClain, “Ocean color chlorophyll algorithms for SeaWiFS,” J. Geophys. Res. 103, 24,937-24,953 (1998). 10. Z. -P. Lee, K. L. Carder, and R. A. Arnone, “Deriving inherent optical properties from water color: A multi- band quasi-analytical algorithm for optically deep waters,” Appl. Opt. 41, 5755-5772 (2002). 11. O. Ulloa, S. Sathyendranath, and T. Platt, “Effect of the particle size-distribution on the backscattering ratio in seawater,” Appl. Opt. 33, 7070-7077 (1994). 12. M. S. Twardowski, E. Boss, J. B. MacDonald, W. S. Pegau, A. H. Barnard, and J. R. V. Zaneveld, “A model for estimating bulk refractive index from the optical backscattering ratio and the implications for understanding particle composition in case I and case II waters,” J. Geophys. Res. 106, 14,129-14,142 (2001). 13. D. Risović, “Effect of suspended particulate-size distribution on the backscattering ratio in the remote sensing of seawater,” Appl. Opt. 41, 7092-7101 (2002). 14. M. Babin, A. Morel, V. Fournier-Sicre, F. Fell, and D. Stramski, “Light scattering properties of marine particles in coastal and open ocean waters as related to the particle mass concentration,” Limnol. Oceanogr. 48, 843-859 (2003). (C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2132 #103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009

Effects of bulk particle characteristics on backscattering and optical closure

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Page 1: Effects of bulk particle characteristics on backscattering and optical closure

Effects of bulk particle characteristics on

backscattering and optical closure

Grace Chang1*

and Amanda L. Whitmire2

1 Sea Engineering, Inc., 200 Washington St., Suite 210, Santa Cruz, CA 95060, USA 2 College of Oceanic & Atmospheric Sciences, Oregon State University, Corvallis, OR 97331, USA

*Corresponding author: [email protected]

Abstract: Optical closure is essential for the determination of

biogeochemical properties from ocean color remote sensing information.

Mie scattering theory, a radiative transfer model, and a semi-analytical

inversion algorithm were used to investigate the influence of particles and

their properties on optical closure. Closure results were generally poor.

Absorption coefficient (at) inversions were more accurate for moderate

particle size distribution slopes (3.50 ≤ ξ ≤ 3.75). The degree of success in

the derivation of the backscattering coefficient (bbp) was highest at moderate

indices of refraction (1.15 ≤ np ≤ 1.20) and high values of ξ (> 3.75). Marked

improvements in the estimates of bbp were enabled by a priori knowledge of

bbp at one wavelength. At moderate values of np, derivations of at and bbp

were within 25% of Mie-modeled values when Gershun’s relationship was

used in combination with the semi-analytical algorithm.

© 2009 Optical Society of America

OCIS codes: (010.4450) Ocean optics; (120.0280) Remote sensing.

References and links

1. Z. –P. Lee (ed.), “Remote sensing of inherent optical properties: Fundamentals, tests of algorithms, and

applications,” in Reports of the International Ocean-Colour Coordinating Group, No. 5, (IOCCG, 2006).

2. C. D. Mobley, Light and Water: Radiative Transfer in Natural Waters (Academic Press, 1993).

3. H. C. van de Hulst, Light Scattering by Small Particles (Dover, 1981).

4. C. J. Bohren and D. R. Huffman, Absorption and Scattering of Light by Small Particles (John Wiley, 1983).

5. J. R. V. Zaneveld, “Remotely sensed reflectance and its dependence on vertical structure: A theoretical

derivation,” Appl. Opt. 21, 4146-4150 (1982).

6. J. T. O. Kirk, “Dependence of relationship between inherent and apparent optical properties of water on solar

altitude, “Limnol. Oceanogr. 29, 350-356 (1984).

7. H. R. Gordon, “Dependence of diffuse reflectance of natural waters on the Sun angle,” Limnol. Oceanogr. 34,

1484-1489 (1989).

8. A. Morel and B. Gentili, “Diffuse reflectance of oceanic waters: its dependence on Sun angles as influenced by

the molecular scattering contribution,” Appl. Opt. 30, 4427-4438 (1991).

9. J. E. O’Reilly, S. Maritorena, B. G. Mitchell, D. A. Siegel, K. L. Carder, S. A. Garver, M. Kahru, and C.

McClain, “Ocean color chlorophyll algorithms for SeaWiFS,” J. Geophys. Res. 103, 24,937-24,953 (1998).

10. Z. -P. Lee, K. L. Carder, and R. A. Arnone, “Deriving inherent optical properties from water color: A multi-

band quasi-analytical algorithm for optically deep waters,” Appl. Opt. 41, 5755-5772 (2002).

11. O. Ulloa, S. Sathyendranath, and T. Platt, “Effect of the particle size-distribution on the backscattering ratio

in seawater,” Appl. Opt. 33, 7070-7077 (1994).

12. M. S. Twardowski, E. Boss, J. B. MacDonald, W. S. Pegau, A. H. Barnard, and J. R. V. Zaneveld, “A model

for estimating bulk refractive index from the optical backscattering ratio and the implications for

understanding particle composition in case I and case II waters,” J. Geophys. Res. 106, 14,129-14,142

(2001).

13. D. Risović, “Effect of suspended particulate-size distribution on the backscattering ratio in the remote sensing

of seawater,” Appl. Opt. 41, 7092-7101 (2002).

14. M. Babin, A. Morel, V. Fournier-Sicre, F. Fell, and D. Stramski, “Light scattering properties of marine

particles in coastal and open ocean waters as related to the particle mass concentration,” Limnol. Oceanogr.

48, 843-859 (2003).

(C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2132#103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009

Page 2: Effects of bulk particle characteristics on backscattering and optical closure

15. E. Boss, W. S. Pegau, M. Lee, M. S. Twardowski, E. Shybanov, G. Korotaev, and F. Baratange, “The

particulate backscattering ratio at LEO-15 and its use to study particle composition and distribution,” J.

Geophys. Res. 109, C1, C0101410.1029/2002JC001514 (2004).

16. E. Boss, D. Stramski, T. Bergmann, W. S. Pegau, and M. Lewis, “Why Should We Measure the Optical

Backscattering Coefficient?” Oceanography 17, 44-49 (2004).

17. S. B. Wozniak and D. Stramski, “Modeling the optical properties of mineral particles suspended in seawater

and their influence on ocean reflectance and chlorophyll estimation from remote sensing algorithms,” Appl.

Opt. 43, 3489-3503 (2004).

18. J. M. Sullivan, M. S. Twardowski, P. L. Donaghay, and S. Freeman, “Use of optical scattering to discriminate

particle types in coastal waters,” Appl. Opt. 44, 1667-1680 (2005).

19. A. L. Whitmire, E. Boss, T. J. Cowles, and W. S. Pegau, “Spectral variability of the particulate backscattering

ratio,” Opt. Express 15, 7019-7031 (2007).

20. W. A. Snyder, R. A. Arnone, C. O. Davis, W. Goode, R. W. Gould, S. Ladner, G. Lamela, W. J. Rhea, R.

Stavn, M. Sydor, and A. Weidemann, “Optical scattering and backscattering by organic and inorganic

particles in U.S. coastal waters,” Appl. Opt. 47, 666-677 (2008).

21. G. C. Chang, A. H. Barnard, S. McLean, P. J. Egli, C. Moore, J. R. V. Zaneveld, T. D. Dickey, and A.

Hanson, “In situ optical variability and relationships in the Santa Barbara Channel: implications for remote

sensing,” Appl. Opt. 45, 3593-3604 (2006).

22. G. Chang, A. H. Barnard, and J. R. V. Zaneveld, “Optical closure in a complex coastal environment: Particle

effects,” Appl. Opt. 46, 7679-7692 (2007).

23. D. Stramski, A. Morel, and A. Bricaud, “Modeling the light attenuation and scattering by spherical

phytoplankton cells: A retrieval of the bulk refractive index,” Appl. Opt. 27, 3954-3956 (1988).

24. D. R. Lide, “Physical and optical properties of minerals,” in CRC Handbook of Chemistry and Physics, 77th

ed., D. R. Lide, ed. (CRC Press, 1997), pp. 4130-4136.

25. E. Boss, M. S. Twardowski, and S. Herring, “Shape of the particulate beam attenuation spectrum and its

inversion to obtain the shape of the particulate size distribution,” Appl. Opt. 40, 4885-4893 (2001).

26. H. R. Gordon, O. B. Brown, R. H. Evans, J. W. Brown, R. C. Smith, K. S. Baker, and D. K. Clark, “A

semianalytic radiance model of ocean color,” J. Geophys. Res. 93, 10,909-10,924 (1988).

27. A. Bricaud, A. Morel and L. Prieur, “Optical efficiency factors of some phytoplankters,” Limnol. Oceanogr.

28, 816-832 (1983).

28. A. Bricaud. and A. Morel, “Light attenuation and scattering by phytoplanktonic cells: a theoretical

modeling,” Appl. Opt. 25, 571-580 (1986).

29. Y.-H. Ahn, A. Bricaud, and A. Morel, “Light backscattering efficiency and related properties of some

phytoplankters,” Deep Sea Res. 39, 1835-1855 (1992).

30. D. Stramski, A. Bricaud, and A. Morel, “Modeling the inherent optical properties of the ocean based on the

detailed composition of planktonic community,” Appl. Opt. 40, 2929-2945 (2001).

31. A. L. Whitmire, The spectral backscattering properties of marine particles, Ph.D. dissertation, Oregon State

University, 2008. ScholarsArchive@OSU, 28 Oct. 2008 <http://hdl.handle.net/1957/9088>.

32. A. Morel and A. Bricaud, "Theoretical results concerning the optics of phytoplankton, with special Reference

to remote sensing applications," in Oceanography from Space, J. F. R. Gower, Ed. (Plenum, New York,

1981).

33. C. D. Mobley, L. K. Sundman, and E. Boss, “Phase function effects on oceanic light fields,” Appl. Opt. 41,

1035-1050 (2002).

34. H. Loisel, X. Mériaux, J-F. Berthon, and A. Poteau, “Investigation of the optical backscattering to scattering

ratio of marine particles in relation to their biogeochemical composition in the eastern English Channel and

southern North Sea,” Limnol. Oceanogr. 52(2), 739-752 (2007).

35. A. Morel, K. J. Voss, and B. Gentili, “Bidirectional reflectance of oceanic waters: A comparison of modeled

and measured upward radiance fields,” J. Geophys. Res. 100, 13,143-13,150 (1995).

36. H. Loisel and A. Morel, “Non-isotropy of the upward radiance field in typical coastal (Case 2) waters,” Int. J.

Remote Sens. 22, 275-295 (2001).

37. J. R. V. Zaneveld, “A theoretical derivation of the dependence of the remotely sensed reflectance of the ocean

on the inherent optical properties,” J. Geophys. Res. 100, 13,135-13,142 (1995).

38. Y. Park and K. Ruddick, “Model of remote-sensing reflectance including bi-directional effects for case 1 and

case 2 waters,” Appl. Opt. 44, 1236-1249 (2005).

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7163-7180 (2001).

1. Introduction

Optical closure involves solutions to the forward and inverse problems in ocean optics. Both

problems are twofold: Forward – the determination of the inherent optical properties (IOPs)

from characteristics of the particulate and dissolved material and the prediction of the

apparent optical properties (AOPs) from the IOPs; Inverse – the derivation of the IOPs from

the AOPs, and the determination of biogeochemical properties from the IOPs. The latter

(C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2133#103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009

Page 3: Effects of bulk particle characteristics on backscattering and optical closure

component of the inverse problem is especially important for interpretation of ocean color

remote sensing data to synoptically observe and monitor interdisciplinary processes such as

biogeochemical cycling, particle transport, and ecosystem dynamics (e.g., see [1]). Other than

the computation of the AOPs from the IOPs, i.e. component #2 of the forward problem [2],

optical closure has proven problematic – particularly for global scale applications.

Optical theory suggests that the optical properties of particles depend on characteristics

such as particle size, shape, composition, and index of refraction [3,4]. Mie scattering theory

involves the estimation of the IOPs from characteristics for a single particle or a population of

mono-dispersed or poly-dispersed particles. Briefly, Mie theory determines the scattering and

extinction efficiency factors (and absorption by difference) for a homogeneous sphere at a

given wavelength, index of refraction, and particle diameter. Ensembles of efficiency factors

for spheres of different sizes can then be applied, using a specified particle size distribution

(PSD) and number concentration to derive the respective IOPs, i.e. the absorption, scattering,

and attenuation coefficients for a particle population.

The IOPs are in turn directly related to remote sensing reflectance through radiative

transfer theory, which can be numerically modeled (e.g., [2]). A simpler approach to radiative

transfer has been proposed, with remote sensing reflectance correlated to the absorption and

backscattering coefficients and represented by:

rrs(λ) ≈ [f(λ) / Q(λ)] { bbt(λ) / [at(λ) + bbt(λ)] }, (1)

where bbt(λ) is total spectral backscattering, at(λ) is total spectral absorption, and the f/Q ratio

(wavelength notation hereafter suppressed) is a parameter that depends on the shape of the

upwelling light field and the volume scattering function (VSF) [5]. The parameter Q(λ) is a

measurable quantity: the ratio of upwelling irradiance to upwelling radiance. However the

value, f(λ), is often approximated for a single VSF [6] or using assumed scattering properties

and sky conditions [7,8], which oftentimes leads to erroneous computations of rrs(λ) from the

IOPs and vice versa when inverting this relationship (i.e. the inverse problem).

Empirical and semi-analytical algorithms have been developed to invert remote sensing

reflectance signals to obtain the IOPs and biogeochemical constituents (e.g., chlorophyll

concentration; [9]). Empirical algorithms have proven challenging for Case II waters, whose

optical properties are not dominated by chlorophyll-containing particles but rather by

inorganic particles, colored dissolved organic matter (CDOM), or both quantities. Semi-

analytical algorithms based on Eq. (1) (e.g., see [10]) have been more successful when applied

to widely varying optical water types, however, assumptions about the spectral and angular

scattering properties and the upwelling light field can negatively impact inversion results.

The effects of particles and particle characteristics on the variability of remote sensing

reflectance need to be understood in order to solve the forward and inverse problems in ocean

optics and importantly, to better utilize ocean color data to obtain information about

biogeochemistry and ecosystem dynamics. We present results from forward and backward

approaches to optical closure with emphasis on the effects of particles and their characteristics

on backscattering, the backscattering ratio, and ocean color. We build upon decades of

theoretical, laboratory, and field results (e.g., see [3,4,11-20]).

2. Methods

Mie scattering theory and the radiative transfer model, Hydrolight, were used to compute the

bulk IOPs and AOPs for a set of hypothetical water masses containing particle populations

with variable bulk indices of refraction and PSDs. The influence of particles and their

properties (e.g., bulk real index of refraction and PSD slope, np and ξ, respectively) on the

IOPs and AOPs and on inversion algorithms to derive the IOPs from AOPs was investigated

using a semi-analytical remote sensing inversion algorithm.

(C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2134#103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009

Page 4: Effects of bulk particle characteristics on backscattering and optical closure

2.1 Forward approach

Mie scattering theory was used to generate bulk IOPs for a series of hypothetical water

masses. Mie model input values were determined based on four years of time series

measurements of optical properties collected on a mooring at 4 m water depth in shallow

coastal waters of the Santa Barbara Channel (Fig. 1). Optical water types in this region of the

Santa Barbara Channel are highly biogeochemically complex and can vary rapidly from

relatively clear waters dominated by biogenic particles to very turbid and comprised of mostly

inorganic particles [21,22].

We used the Mie code provided by Bohren and Huffman [4] for scattering by

homogeneous spheres (routines BHMIE and CALLBH), translated from Fortran language into

Matlab by E. Boss (U Maine). This code computes the elements and efficiencies of the

amplitude scattering matrix. The modeled PSDs were restricted to a size range of diameters,

D, ranging from 0.2 – 100 µm in 35 logarithmically spaced size bins. The PSDs followed a

differential size distribution function where f(D) = N x D-η

, where N is the particle

concentration (held constant at 5 x 105 mL

-1), i.e. we assumed Junge-type PSDs. We used np

values of 1.01, 1.05, 1.10, 1.15 and 1.20 and ξ values of 3.0, 3.25, 3.5, 3.75, 4.0 and 4.25 at

nine wavelengths (λ = 412, 440, 488, 510, 532, 555, 650, 676, and 715 nm). The imaginary

index of refraction of particles was held constant at n’ = 0.01 for all Mie theory calculations.

Flatter PSD slopes, i.e. lower values of ξ, generally imply more large particles are present in a

population, whereas steeper PSD slopes specify smaller particles. Lower values of np are

indicative of biological particles (npphytoplankton

= 1.02 – 1.07; [23]) because of their high water

content, and minerogenic particles are represented by higher values of np (npminerogenic

= 1.14 to

1.26; [24]). Two hundred and seventy sets of IOPs were determined from Mie modeling

efforts. These Mie-computed IOPs were within the range of IOPs measured in the Santa

Barbara Channel (Fig. 1).

Fig. 1. Measured IOPs (Santa Barbara Channel). Thick black lines indicate the spectral mean

and dashed black lines denote one standard deviation from the mean. The lower right-hand

panel shows a data series of bulk np (red) and ξ (blue) computed using measured IOPs and

methods presented by Boss et al. [25] and Twardowski et al. [12]. [The IOP property subscript

‘p’ denotes particulate material and ‘g’ represents dissolved matter.]

(C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2135#103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009

Page 5: Effects of bulk particle characteristics on backscattering and optical closure

Phase functions, together with Mie-computed scattering and attenuation (and absorption

by difference) coefficients, were then inputted into the numerical radiative transfer model,

Hydrolight, to compute the AOPs at the surface, just below the surface, and at 4 m geometric

water depth in optically deep waters. Particle phase functions were generated from Mie-

calculated VSFs using relevant phase function discretization operations in Hydrolight.

Inelastic scattering processes were not included in computations and the following

environmental conditions were assumed: wind speed = 5 m s-1

, solar angle = 30°, and 0%

cloud cover. Hydrolight calculations resulted in 270 arrays of AOPs representing five

different bulk indices of refraction, six different PSD slopes, and nine different wavelengths.

2.2 Inverse approach

We employed a semi-analytical remote sensing inversion algorithm [10] in order to examine

the influence of particles and their properties (np and ξ) on derivations of the IOPs from

AOPs. This algorithm uses the relationship presented by Gordon et al. [26]:

rrs(λ) = g0 u(λ) + g1 [u(λ)]2 (2a)

where

u(λ) = bbt(λ) / [at(λ) + bbt(λ)] (2b)

and the g-constants are dependent on the particle phase function, oftentimes represented as g0

= 0.084 and g1 = 0.17 [10], which are the values we used in our computations. Due to the

relatively large values of at(440) (> 0.3 m-1

), at(650) was first parameterized as a function of

Hydrolight-derived rrs(λ), then bbt(650) was derived from Eq. (2), as opposed to using the 555

nm wavelength method [10]. Next, bbt(λ) was computed; it was assumed to monotonically

decrease with increasing wavelength:

bbt(λ) = bbw(λ) + bbp(λ0) (λ0/λ)η, (3)

where λ0 = 650 nm and η is a function of rrs(λ). Spectral at(λ) was calculated following Eq.

(2). Details regarding empirical parameterizations of the IOPs and rrs(λ) can be found in Lee

et al. [10].

3. Results and discussion

To verify data and model integrity, we provide an independent parameterization of at(λ)

derived from Gershun’s equation. The exact relationship (wavelength notation suppressed):

at = Kd µd [1 + R (µd/µu)]-1

[1 – R + (Kd)-1

dR/dZ], (4)

(where Kd is the diffuse attenuation coefficient for downwelling irradiance, µd and µu are the

average cosines for downwelling and upwelling light, respectively, R is irradiance reflectance,

and Z is depth) was applied to our Hydrolight-derived values for Kd, µd, µu, and R at Z = 4 m.

Comparisons between Mie-modeled absorption coefficients, atMie

(λ), and absorption

coefficients inverted using Gershun’s equation, atGer

(λ), at 4 m are shown in Fig. 2. The exact

1:1 correlation between atMie

(λ) and atGer

(λ) for all np, ξ, and λ indicates that no errors were

made in Mie computed inputs to Hydrolight or Hydrolight modeling.

(C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2136#103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009

Page 6: Effects of bulk particle characteristics on backscattering and optical closure

Fig. 2. Comparison between at

Mie(λ) and atGer(λ) [Eq. (4)] at nine wavelengths, five different

values of np, and six different values of ξ.

3.1 Forward approach - IOPs

The effects of variable np and ξ on spectral IOPs are shown in Fig. 3. The absorption,

attenuation, scattering, and backscattering coefficients (minus water) all increased with

increasing np at all wavelengths. Harder particles (i.e. material with higher np-values) resulted

in higher scattering and less transmission of light, which has been predicted from Mie theory

(e.g., see [11,12]). The absorption coefficient was minimally affected by variations in np and

decreased with increasing ξ; spectral variability was more or less constant across all np and ξ.

PSD slope effects were similar between cpg(λ) and bp(λ), i.e. attenuation was controlled more

by scattering processes. In general, cpg(λ) and bp(λ) decreased with increasing ξ but at np >

1.10, cpg(λ) and bp(λ) increased in the blue wavelengths as ξ exceeded 4.0 (Fig. 3). Wozniak

and Stramski [17] also showed higher blue-peaked spectra for mass-specific scattering

coefficients at high values of ξ. Effects of np variability were more pronounced at higher ξ for

cpg(λ) and bp(λ). This implies that variability in cpg(λ) and bp(λ) was more strongly affected by

the presence of smaller, harder (i.e. minerogenic) particles.

Fig. 3. Spectral IOPs and IOP ratios as a function of np (legend in top left panel; colors

correspond to plot lines and not fill colors) and ξ (x-axes).

(C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2137#103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009

Page 7: Effects of bulk particle characteristics on backscattering and optical closure

Magnitudinal variability in bbp(λ) behaved as expected from Mie theory; bbp(λ) values

increased with increasing np. Increasing ξ from 3.0 to 3.5 resulted in decreased bbp(λ) and then

this trend reversed between ξ = 3.5 and 4.25. Mie-derived backscattering spectral shapes were

not always represented by Eq. (3) and at np > 1.05, bbp(λ) exhibited spectral inflections,

particularly at ξ = 3.0 (Fig. 3). The spectral shape of bbp(λ) became less steep with increasing

np, with the mean power-law exponent changing from η = –2.601 to –0.1056, averaged over

six different ξ. The mean of η over the 270 Mie-computed bbp(λ) spectra was calculated to be

-0.8991 with a standard deviation of 1.0844. In comparison, Snyder et al. [20] found that the

mean and standard deviation of η for over 6000 field measurements of bbp(λ) in coastal waters

was -0.942 ± 0.210. They stated that, “…the spread in this value is not random and represents

small, but real, spectral changes in the backscattering spectral properties of the water” [20].

Their results show that significant departures from the average power-law function occurred

where biological particulates dominated. We also find that the spectral shape of bbp(λ)

deviated from a power-law function at lower np (at np < 1.10, bbp(λ) exponentially decayed

with increasing wavelength; not visible in Fig. 3), which is representative of particles with

higher water content, i.e. biological particles. Spectral inflections in the particulate

backscattering coefficient have been observed in modeling results that used input parameters

based on measurements of phytoplankton cultures [27-30]. Direct measurements of the

spectral backscattering properties of marine phytoplankton cultures have also shown spectral

inflections [31]. Reduced backscattering in spectral regions of strong absorption (e.g. peaks in

absorption by Chlorophyll-a around 440 and 670 nm) is caused by the change in the

imaginary index of refraction at these wavelengths, an effect known as anomalous dispersion

[3,32]. However, spectral inflections present in our results are somewhat surprising, given that

we kept the real and imaginary portions of the index of refraction constant across wavelengths

in our model runs.

Based on theoretical studies [11,12], the backscattering ratio, bbp(λ)/bp(λ), has

traditionally been assumed to be spectrally flat. However, Ulloa et al. [11] assert that in the

case of monodispersions or in waters dominated by minerogenic particles, bbp(λ)/bp(λ) can

vary strongly with wavelength depending on the size of the particles and their refractive

index. We found that Mie-modeled bbp(λ)/bp(λ) was spectrally flat only at ξ ≤ 3.25 for all np,

i.e. larger particles. During all other conditions, bbp(λ)/bp(λ) varied spectrally with increasing

np and ξ. The spectral shape of bbp(λ)/bp(λ) exhibited increasing values with increasing

wavelength, with the steepest spectral slopes observed at ξ = 4.25. The particulate

backscattering ratios observed by Snyder et al. [20] also exhibited a wide range in wavelength

dependence and were highly variable in space and time. However, others have found little

spectral variation in bbp(λ)/bp(λ). Boss et al. [15] and Mobley et al. [33] reported that

bbp(λ)/bp(λ) spectra varied by less than 10% and 24% for all values of backscattering

measured in coastal New Jersey and modeled using Hydrolight, respectively. Whitmire et al.

[19] found no significant spectral variability in a dataset of over 9000 observations that

included data from diverse aquatic environments and particle populations, with rare

exceptions in instances of monodispersions of large particles. Risović [13] found that Mie-

modeled bbp(λ)/bp(λ) was only weakly dependent on wavelength but suggested additional

research on the spectral behavior of bbp(λ)/bp(λ).

Risović [13] also suggested that bbp(λ)/bp(λ) can be overestimated with Mie theory when

assuming a Junge-type particle distribution. However, our resultant bbp(λ)/bp(λ) values are

quite similar to those measured in the Santa Barbara Channel (Figs. 1 and 3). The magnitude

of bbp(λ)/bp(λ) generally increased with increasing np and ξ, which has been shown by Mie

theory (e.g., Fig. 5 in [11] and Fig. 1 in [12]). Theoretical studies have also indicated that

bbp(λ)/bp(λ) is strongly affected by the presence of sub-micrometer particles and that its

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magnitude varies with the slope of the PSD [11]. Observed magnitudinal variability of

bbp(λ)/bp(λ) has been related to particle composition. Loisel et al. [34] indicated that, based on

data collected in European waters, the amount of organic material has a strong influence on

bbp(λ)/bp(λ) and detrital particles resulted in higher values of bbp(λ)/bp(λ). Boss et al. [15] also

report that bbp(λ)/bp(λ) is strongly related to the index of refraction particles. Snyder et al.

[20], however, do not find any quantifiable evidence of particle type (organic vs. inorganic)

with the magnitude of bbp(λ)/bp(λ) and suggest that other factors need to be considered in

quantifying the variability in bbp(λ)/bp(λ).

The most striking results for the effects of particle characteristics on our set of

hypothetical optical water types was the highly variable spectral shapes of the backscattering

coefficient and the backscattering ratio. Contrary to assumptions made in the past, bbp(λ)/bp(λ)

was not always spectrally flat and spectral bbp(λ) did not always follow the widely used

expression shown in Eq. (3). This suggests that spectral variability, in addition to

magnitudinal variability in bbp(λ)/bp(λ) and bbp(λ) could contain valuable information about

the characteristics of particles. Importantly, variable spectral shapes (e.g., exponential versus

power-law) at low np and spectral inflections at low ξ-values could have profound impacts on

remote sensing and inversion algorithms for the derivation of the IOPs and biogeochemical

properties.

3.2 Forward approach - AOPs

Hydrolight-computed AOP values were within the ranges of those reported in the literature

(Fig. 4). For example, Morel et al. [35] reported field-measured and simulated values of Q(λ)

between 0 and 8 sr and Loisel and Morel [36] found Q(λ) to vary between about 3 and 7 sr

from numerical simulations of case II coastal waters with variable solar angles and scattering

events. Loisel and Morel [36] also reported f/Q values between 0.06 and 0.20 sr-1

for the same

simulations. Kd(λ) values and spectral shapes in Fig. 4 are typical of turbid coastal waters

(e.g., Fig. 2 in [36]).

Fig. 4. 3-D plots of spectral AOPs as a function of np (legend in top left panel; colors

correspond to plot lines and not fill colors) and ξ (x-axes).

Spectral AOPs for variable np and ξ-values are shown in Fig. 4. Kd(λ) behaved similar to

apg(λ), increasing with increasing np and decreasing with increasing ξ at all wavelengths.

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Remote sensing reflectance and R(λ) (irradiance reflectance) spectral effects were as expected

with increasing np and ξ; spectral shapes shifted from blue-peaked (case I-like) at low np and ξ

to green-peaked (case II-like) at high n and ξ. The variability in the f/Q ratio was highly

dependent on wavelength, np, and ξ. The f/Q ratio increased with increasing np at all

wavelengths, however effects of variable ξ were spectrally and np dependent. This suggests

that f/Q is strongly related to scattering processes and should not be treated as a constant (e.g.,

[37,38]) [note that the computation of f assumes that the relationship in Eq. (1) is true]. This

has important implications for inversion algorithms to determine the IOPs and biogeochemical

constituents from remotely sensed ocean color data as many radiative transfer-based inversion

models employ empirically or numerically determined constants in the place of f/Q, e.g., Eqs.

(1) and (2).

3.3 Inverse approach

Absorption and backscattering coefficients derived using a semi-analytical algorithm [10]

were within 150% of “true” values, i.e. Mie-computed (Fig. 5). Lower values of at(λ) were

estimated more accurately than higher values, likely because the algorithm was formulated

based on at(λ) values of less than 0.3 m-1

whereas our Mie-computed at(λ) values were much

higher (mean of 0.5 m-1

at 412 nm; Fig. 1). The degree of success of derivation of at(λ) was

more influenced by ξ as compared to np or wavelength. For derivations of at(λ), the inversion

algorithm performed best at moderate ξ-values (3.50 ≤ ξ ≤ 3.75) for all values of np and at all

wavelengths. Absorption was slightly overestimated for high values of ξ (i.e. smaller

particles) and underestimated for low ξ (i.e. larger particles). On the other hand, successful

derivations of bbp(λ) were dependent on np and ξ but not necessarily on wavelength or the

magnitude of bbp(λ). We show that more accurate bbp(λ) estimations were achievable at 1.15 ≤

np ≤ 1.20 and at higher values of ξ (> 4.0; i.e. smaller particles). Derivations were

underestimated for lower ξ.

Fig. 5. Derived at

QAA(λ) and bbpQAA(λ) compared to at

Mie(λ) and bbpMie(λ). Wavelengths are

represented by different colors from blue (400 nm range) to red (600 nm range). Open symbols

in the first column denote the different ξ-values (triangles = 3.0, circles = 3.25, squares = 3.50,

pluses = 3.75, stars = 4.0, and asterisks = 4.25) and closed symbols in the second column

represent the different np-values (triangles = 1.01, circles = 1.05, squares = 1.10, crosses = 1.15,

and stars = 1.20).

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To investigate potential sources of error in the semi-analytical algorithm for these

particular IOPs and AOPs, we assumed a priori knowledge of bbp(650) and then estimated

bbp(λ) and at(λ) using Eqs. (3) and (2). Results of this exercise are shown in Fig. 6a-d. Not

surprisingly, derivations of spectral bbp(λ) are much more accurate with knowledge of bbp(λ)

at one wavelength (Fig. 6c, d). Other than for np = 1.01, bbp(λ) was generally overestimated,

more so at the blue wavelengths when bbp(650) is known. Thus, at(λ) was also overestimated.

The absorption coefficient was generally overestimated by up to 130%, even at at(650) when

bbp(650) is known, which suggests that g0 and g1 (Eq. 2) are not entirely accurate and should

not be treated as constants, at least for this set of IOPs. This is evidenced by the highly

variable f/Q ratio shown in Fig. 4 and discussed in the previous section.

The right two columns of Fig. 6 (e, f) show derivations of at(λ) using a simplified version

of Eq. (4), where µu = 0.40, µd = 0.90, and dR/dZ is neglected [39]:

at(λ) = Kd(λ) 0.90 [1 + 2.25 R(λ)]-1

[1 - R(λ)] (5)

and by assuming R(λ) = 3.5 x rrs(λ). Eq. (3) was then used to estimate bbp(λ) (Fig. 6g, h). The

use of a simplified Gershun’s equation yielded more accurate derivations of at(λ), mostly

within 25% of Mie-computed values (Fig. 6e, f). The largest deviations in at(λ) and bbp(λ)

were found at higher np values. Unsuccessful derivations of bbp(λ) at np = 1.01 in both cases

are due to the fact that the spectral shape of bbp(λ) at the lowest np-value (Fig. 6d, h) is

represented by an exponential, rather than a power-law function. This implies that for

complex coastal waters, improvements need to be made to the empirical parameterization of

the power-law exponent, η.

Wozniak and Stramski [17] also show that mineral particles in seawater can result in

significant errors in the derivation of, in their case chlorophyll concentration from ocean color

data. Marked improvements in the inversion algorithm are found by assuming a priori

knowledge of bbp at one wavelength or by applying a simplified Gershun’s equation to first

derive at(λ). This shows that minimal in situ measurements can result in accurate assessments

of the IOPs and hence biogeochemical properties from ocean color remote sensing data.

Fig. 6. (a-d) Same as Fig. 5 but assuming bbp(650) is known; (e-h) Same as Fig. 6 but for at(λ)

derived using Eq. (5); bbp(λ) was derived using Eq. (3).

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4. Summary and conclusions

Mie scattering theory and the radiative transfer model, Hydrolight, were used to compute the

IOPs and AOPs for a set of hypothetical optical water types with variable bulk real indices of

refraction and particle size distribution slopes. The influence of particles and their properties

on inversion algorithms to derive the IOPs from modeled AOPs was investigated using a

semi-analytical remote sensing inversion algorithm. Notable conclusions are highlighted here.

The spectral shape and magnitude of the absorption coefficient was minimally affected by

variations in np, but its magnitude decreased significantly with increasing ξ. Variability in the

attenuation and scattering coefficients was strongly influenced by the presence of smaller,

harder particles. The spectral shape of the particulate backscattering coefficient was not

always represented by a power-law function, and often exhibited spectral inflections. The

particulate backscattering ratio was spectrally flat only in the presence of larger particles.

During all other conditions, bbp(λ)/bp(λ) varied spectrally with increasing np and ξ. In

evaluating the effect of particle properties on AOPs, we found that the f/Q ratio exhibited

escalating spectral variability with increasing np and ξ. In tests of the performance of a semi-

analytical algorithm in predicting IOPs, the degree of success in the derivation of at(λ) was

more influenced by the magnitude of at(λ) and ξ as compared to np or wavelength. Accurate

derivations of bbp(λ) were dependent on np and ξ but not necessarily on wavelength or the

magnitude of bbp(λ). Marked improvements in estimates of bbp(λ) were enabled by a priori

knowledge of bbp at one wavelength. At 1.05 < np < 1.15, derivations of at(λ) and bbp(λ) were

well within 25% of true values when Gershun’s equation was used in combination with the

semi-analytical algorithm.

Our efforts here are focused on improving and quantifying understanding of the

relationships between the bulk optical properties and the particle characteristics. The IOPs

form the link between biogeochemical constituents and the vertical structure of the radiance

field; therefore successful inversions of satellite-measured ocean color properties to derive

biogeochemical products are dependent on efforts like these. We identify the need to better

comprehend the effects of individual and bulk particle characteristics that are more detailed

than np and ξ (e.g., individual particle composition and size) on the spectral shapes of the

backscattering coefficient and backscattering ratio and on the variability of the f/Q ratio (or

the g-constants) in order to properly parameterize inversion models. We also show that

significant improvements to inversions can be achieved with minimal in situ measurements,

i.e. ocean color remote sensing ground-truthing.

Acknowledgments

GC was supported by the National Oceanographic Partnership Program as part of the

MOSEAN program. AW was supported by a NOAA Sea Grant Industry Fellowship. The

authors would like to acknowledge MOSEAN PIs Tommy Dickey, Casey Moore, Al Hanson,

and Dave Karl. The authors also thank Tim Cowles, Andrew Barnard, Frank Spada, and an

anonymous reviewer who provided an excellent, insightful and thorough review of an earlier

version of this paper.

(C) 2009 OSA 16 February 2009 / Vol. 17, No. 4 / OPTICS EXPRESS 2142#103540 - $15.00 USD Received 3 Nov 2008; revised 3 Dec 2008; accepted 23 Jan 2009; published 2 Feb 2009