Absorption of Volatile Organic Compounds into Polydimethylsiloxane: Phase Equilibrium Computation at Infinite Dilution
Group contribution methods such as the UNIFAC are
very useful to researchers and engineers involved in synthesis,
feasibility studies, design and optimization of separation processes.
They can be applied successfully to predict phase equilibrium and
excess properties in the development of chemical and separation
processes. The main focus of this work was to investigate the
possibility of absorbing selected volatile organic compounds (VOCs)
into polydimethylsiloxane (PDMS) using three selected UNIFAC
group contribution methods. Absorption followed by subsequent
stripping is the predominant available abatement technology of
VOCs from flue gases prior to their release into the atmosphere. The
original, modified and effective UNIFAC models were used in this
work. The thirteen selected VOCs that have been considered in this
research are: pentane, hexane, heptanes, trimethylamine, toluene,
xylene, cyclohexane, butyl acetate, diethyl acetate, chloroform,
acetone, ethyl methyl ketone and isobutyl methyl ketone. The
computation was done for solute VOC concentration of 8.55x10-8
which is well in the infinite dilution region. The results obtained in
this study compare very well with those published in literature
obtained through both measurements and predictions. The phase
equilibrium obtained in this study show that PDMS is a good
absorbent for the removal of VOCs from contaminated air streams
through physical absorption.
[1] A. Fredenslund, R. L. Jones, and J. M. Prausnitz, "Group contribution
estimation of activity coefficients in non ideal liquid mixtures,"
AIChE J., vol. 21, no. 6, pp. 1086 -1099, November 1975.
[2] A. Fredenslund, J. Gmehling, M. L. Michelsen., P. Rasmussen, and J.
M. Prausnitz, "Computerized Design of Multicomponent Distillaion
Column Using the UNIFAC Group Contribution Method for the
Calculation of Activity Coefficients," Ind. Eng. Chem. Process. Des.
Dev., vol. 16, no. 4, pp. 450-462, 1977.
[3] J. C. Bastos, M. E. Soares, A. G. Medina, "Infinite Dilution Activity
Coefficients by UNIFAC Group Contribution," Ind. Eng. Chem. Res.
Vol. 27, no. 7, pp. 1269 - 1277, 1988.
[4] I. Nagata, and K. Koyabu., "Phase equilibrium by Effective UNIFAC
group contribution method," Thermochemica Acta, vol. 48, pp. 187-194,
1981.
[5] E. L. Derr, and C. H. Deal., "Analytical solution of groups: correlation
of activity coefficients through structural group parameters," IChemE
Symp., vol. 32, no. 3, pp. 40-51, 1969.
[6] E. Muzenda, M. Belaid, and F. Ntuli, "Measurement of Infinite Dilution
Activity Coefficients of Selected Environmentally Important Volatile
Organic Compounds in Polydimethylsiloxane using Gas - Liquid
Chromatography," Kor. J. Chem. Eng., vol. 27, no. 5, pp. 1509 - 1512,
2010.
[7] E. Muzenda, A. Arrowsmith, M. Belaid, F. Ntuli, "Thermodynamics of
Volatile Organic Compounds in very Dilute Aqueous and Polymeric
Systems by Simple Modified Chromatographic Headspace Methods as
Indicators for Physical Absorption Abatement," in Proc. The 2009 South
African Chemical Engineering Cong., ISBN 978-1- 920355-21-0, 2009.
[1] A. Fredenslund, R. L. Jones, and J. M. Prausnitz, "Group contribution
estimation of activity coefficients in non ideal liquid mixtures,"
AIChE J., vol. 21, no. 6, pp. 1086 -1099, November 1975.
[2] A. Fredenslund, J. Gmehling, M. L. Michelsen., P. Rasmussen, and J.
M. Prausnitz, "Computerized Design of Multicomponent Distillaion
Column Using the UNIFAC Group Contribution Method for the
Calculation of Activity Coefficients," Ind. Eng. Chem. Process. Des.
Dev., vol. 16, no. 4, pp. 450-462, 1977.
[3] J. C. Bastos, M. E. Soares, A. G. Medina, "Infinite Dilution Activity
Coefficients by UNIFAC Group Contribution," Ind. Eng. Chem. Res.
Vol. 27, no. 7, pp. 1269 - 1277, 1988.
[4] I. Nagata, and K. Koyabu., "Phase equilibrium by Effective UNIFAC
group contribution method," Thermochemica Acta, vol. 48, pp. 187-194,
1981.
[5] E. L. Derr, and C. H. Deal., "Analytical solution of groups: correlation
of activity coefficients through structural group parameters," IChemE
Symp., vol. 32, no. 3, pp. 40-51, 1969.
[6] E. Muzenda, M. Belaid, and F. Ntuli, "Measurement of Infinite Dilution
Activity Coefficients of Selected Environmentally Important Volatile
Organic Compounds in Polydimethylsiloxane using Gas - Liquid
Chromatography," Kor. J. Chem. Eng., vol. 27, no. 5, pp. 1509 - 1512,
2010.
[7] E. Muzenda, A. Arrowsmith, M. Belaid, F. Ntuli, "Thermodynamics of
Volatile Organic Compounds in very Dilute Aqueous and Polymeric
Systems by Simple Modified Chromatographic Headspace Methods as
Indicators for Physical Absorption Abatement," in Proc. The 2009 South
African Chemical Engineering Cong., ISBN 978-1- 920355-21-0, 2009.
@article{"International Journal of Chemical, Materials and Biomolecular Sciences:63925", author = "Edison Muzenda and Corina M Mateescu", title = "Absorption of Volatile Organic Compounds into Polydimethylsiloxane: Phase Equilibrium Computation at Infinite Dilution", abstract = "Group contribution methods such as the UNIFAC are
very useful to researchers and engineers involved in synthesis,
feasibility studies, design and optimization of separation processes.
They can be applied successfully to predict phase equilibrium and
excess properties in the development of chemical and separation
processes. The main focus of this work was to investigate the
possibility of absorbing selected volatile organic compounds (VOCs)
into polydimethylsiloxane (PDMS) using three selected UNIFAC
group contribution methods. Absorption followed by subsequent
stripping is the predominant available abatement technology of
VOCs from flue gases prior to their release into the atmosphere. The
original, modified and effective UNIFAC models were used in this
work. The thirteen selected VOCs that have been considered in this
research are: pentane, hexane, heptanes, trimethylamine, toluene,
xylene, cyclohexane, butyl acetate, diethyl acetate, chloroform,
acetone, ethyl methyl ketone and isobutyl methyl ketone. The
computation was done for solute VOC concentration of 8.55x10-8
which is well in the infinite dilution region. The results obtained in
this study compare very well with those published in literature
obtained through both measurements and predictions. The phase
equilibrium obtained in this study show that PDMS is a good
absorbent for the removal of VOCs from contaminated air streams
through physical absorption.", keywords = "Absorption, Computation, Feasibility studies,Infinite dilution, Volatile organic compounds", volume = "5", number = "2", pages = "201-5", }