Computation of heat capacities of liquid polymers

Citation
M. Pyda et B. Wunderlich, Computation of heat capacities of liquid polymers, MACROMOLEC, 32(6), 1999, pp. 2044-2050
Citations number
56
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
MACROMOLECULES
ISSN journal
00249297 → ACNP
Volume
32
Issue
6
Year of publication
1999
Pages
2044 - 2050
Database
ISI
SICI code
0024-9297(19990323)32:6<2044:COHCOL>2.0.ZU;2-8
Abstract
The liquid heat capacities at constant pressure of a series of linear polym ers have been computed as the sum of vibrational, external, and conformatio nal contributions. Most of the heat capacity of liquid macromolecules arise s from vibrational motion. The external contribution is assumed to approach zero at constant volume. The conformational contribution, finally, is calc ulated using a fit of experimental heat capacities, as available from the A THAS data bank, to a one-dimensional Ising-type model with two discrete, de generate states. A stiffness and a cooperativity parameter permit the repre sentation of the experimental data for polyethylene, polypropylene, poly(me thyl methacrylate), poly(n-butyl methacrylate), and polystyrene. Agreement between computation and experiment lies within a few percent, close to the experimental precision.