Thompson, Robert W.
This project examined zeolite adsorption of cyclohexane using ab initio methods. Calcium and sodium ions were assumed to account for the major interactions in zeolites and were modeled with cyclohexane to find binding energies, for comparing to the binding energies of cyclohexane-water systems. Results showed that cyclohexane had preferential attraction to calcium ions over sodium and water, suggesting that calcium rich zeolites would best adsorb cyclohexane.
Worcester Polytechnic Institute
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