Computer simulation of the adsorption of chlorinated organics in zeolites

Computer modelling techniques have been used to study the adsorption of three chlorinated hydrocarbons Dichloromethane, 1,2-Dichloroethane, and Trichloroethene in three different zeolite frameworks MFI, MOR and FAU. Calculations have been performed using both classical methods based on inter-atomic...

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Bibliographic Details
Main Author: Sarwar, Misbah
Published: University College London (University of London) 2006
Subjects:
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.430785