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 byfirst defining the substances molecular chemical composition,second, estimating properties of the molecular chemical composition when 3-dimensionally folded,third, forming the composition into a polymeric cluster,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.

Other References

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