Process for determining a zeolite structure and its corresponding adsorption isotherm
US6845329B1 · kind B1 · utility
0Cited by
8References
3Claims
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Key dates
| Filing date | Mar 20, 2002 |
| Grant date | Jan 18, 2005 |
| Priority date | — |
| Expiry date | Nov 22, 2022 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B15/00
- WIPO fieldMaterials, metallurgy
- WIPO sectorChemistry
Abstract
Applicant has developed a method for predicting the structure of a zeolite including the cation positions and distributions. The method comprises using combinatorial minimization and molecular mechanics techniques. One important aspect of the technique is the bumping of two cations. Another aspect of the invention is predicting the adsorption isotherms of the invention using a biased-Grand Cononical Monte Carlo technique which contains electrostatic and dispersion interaction terms between gas molecules and the zeolite.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.