This project examined the theoretical geometrics, kinetics, and binding energies of chloroform and MTBE using Ab-Initio calculations. Using Gaussians03 to complete these calculations, we gained a better understanding of how chloroform and MTBE interact with zeolites. Results showed that both chloroform and MTBE will have preference in calcium rich zeolites over sodium rich zeolites.

• 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

• Vallieres, Peter J.
• Luth, Christopher F.

Publisher

• Worcester Polytechnic Institute

Identifier

• 06D444M

Advisor

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

Year

• 2006

Date created

• 2006-01-01

Resource type

• Major Qualifying Project

Major

• Chemical Engineering

Rights statement

• In Copyright