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Numerical Computation of Kinetic Parameters for Reductive Dechlorination of Chlorinated Solvents

Housam Binous
Organization: KFUPM
Department: Chemical Engineering
URL: http://sites.google.com/site/homepageofdrhousambinous/
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The pathway of degradation of PCE can be expressed by the following scheme: PCE -> TCE -> DCE -> VC -> ETH where PCE is tetrachlorethylene and TCE is trichlorethylene, DCE is dichloroethene, VC is vinyl chloride and finally ETH is ethylene. Derivation of the governing equations is based on the Michaelis-Menten’s model. Dr. Housam Binous was a reviewer for the paper by Antonia Balazova, Marian Slodicka and Roger Van Keer, Parameter determination for reductive dechlorination of chlorinated solvents, accepted for publication in Transport in Porous Media (TIMP), 2006. Here, he presents a simpler approach, than the one proposed by Balazova et al., to determine kinetic parameters for reductive dechlorination of chlorinated solvents. Kinetic parameters, labelled K1, K2, K3, K4, K5, k1, k2 , k3, k4 and k5, are determined in the notebook using experimental data from W.M. Wu, J. Nye, R.F. Hickey, M.K. Jain, and J.G. Zeikus. Dechlorination of PCE and TCE to ethylene using an anaerobic microbial consortium. In R.E. Hinchee, A. Leeson, and L. Semprini, editors, Bioremediation of chlorinated solvents, pages 45-52. Batelle Pr. Columbus, 1995.

*Applied Mathematics
*Applied Mathematics > Numerical Methods
*Applied Mathematics > Optimization
*Engineering > Chemical Engineering
*Science > Chemistry

Reductive Dechlorination of Chlorinated Solvents, Michaelis-Mentens model, FindMinimum, Optimization, NDSolve
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TIPM178R1_bis.nb (236.8 KB) - Mathematica Notebook