On the Study of Diffusion in Zeolites Using Molecular Dynamics Techniques
| Author | : Martin J. S. Sanborn |
| Publisher | : |
| Total Pages | : |
| Release | : 2002 |
| ISBN-10 | : OCLC:50187506 |
| ISBN-13 | : |
| Rating | : 4/5 ( Downloads) |
Book Synopsis On the Study of Diffusion in Zeolites Using Molecular Dynamics Techniques by : Martin J. S. Sanborn
Download or read book On the Study of Diffusion in Zeolites Using Molecular Dynamics Techniques written by Martin J. S. Sanborn and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics (MD) simulation is a powerful tool for studying diffusion in zeolites. In MD, the equations of motion are integrated forward in time to track the motions of atoms in order to obtain dynamic information. Here we use this information to calculate equilibrium self diffusivities and nonequilibrium transport diffusivities. Better understanding of diffusion leads to improved application of zeolites in catalysis, separations, and novel membranes.
