Graph—theoretical approach to the calculation of physico-chemical properties of polymers

✍ Scribed by Ov. Mekenyan; S. Dimitrov; D. Bonchev

• Publisher: Elsevier Science
• Year: 1983
• Tongue: English
• Weight: 642 KB
• Volume: 19
• Category: Article
• ISSN: 0014-3057
• DOI: 10.1016/0014-3057(83)90017-4

✦ Synopsis

Abstraet--A topological extrapolation method for the calculation of various properties (melting points, refractive indices, specific rotation, etc.) of infinite linear polymers is developed. The rapid convergence of the oligomer extrapolation series results in very good agreement between calculated and experimental values. Comparison between the proposed method and other empirical or semi-empirical methods (the group addition method and the Pade-approximation) is also presented.