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.

• This report represents the work of one or more WPI undergraduate students submitted to the faculty as evidence of completion of a degree requirement. WPI routinely publishes these reports on its website without editorial or peer review.

Creator

• Labbe, Nicole J.

Publisher

• Worcester Polytechnic Institute

Identifier

• 06D004M

Advisor

• Thompson, Robert W.
• Wilcox, Jennifer L.

Year

• 2006

Date created

• 2006-01-01

Resource type

• Major Qualifying Project

Major

• Chemical Engineering

Rights statement

• In Copyright