Process for the estimation of physical and chemical properties of a proposed polymeric or copolymeric substance or material
US5260882A · kind A · utility
Assignee
Inventors
Key dates
| Filing date | Jan 2, 1991 |
| Grant date | Nov 9, 1993 |
| Priority date | — |
| Expiry date | Jan 2, 2011 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C60/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A process for estimation of properties utilizing experimental information using constraint determined by chemical kinetics, statistical thermodynamics and molecular mechanics including experimental information on proposed polymeric or copolymeric substances of large molecules for the estimation of the physical properties of the substances by PA1 first defining the substances molecular chemical composition, PA1 second, estimating properties of the molecular chemical composition when 3-dimensionally folded, PA1 third, forming the composition into a polymeric cluster, PA1 fourth, estimating the physical properties of the polymeric cluster, and finally preparation of the polymeric substances having the properties as estimated. The present invention overcomes the "multiple stable minimum " which is associated with prior polymer modeling approaches of large molecules.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.