Abstract

The use of molecular graphics procedures to simulate hydrocarbon processes in zeolites is described. Calculations of heats of adsorption, activation energies for diffusion, and the location of solute molecules are considered, and a methodology for simulating an isomerisation reaction in a shape-selective zeolite catalyst is discussed.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.