On the solid state phases of poly(trans-1,4-butadiene)

Autor:	W. Dollhopf, G. Bautz, U. Leute, P. C. Hägele
Rok vydání:	1981
Předmět:	Phase transition Materials science Polymers and Plastics Solid-state Thermodynamics Single chain Calorimetry Crystallography Colloid and Surface Chemistry Chain (algebraic topology) Phase (matter) Materials Chemistry Coulomb Physical and Theoretical Chemistry
Zdroj:	Colloid and Polymer Science. 259:714-723
ISSN:	1435-1536 0303-402X
DOI:	10.1007/bf01419315
Popis:	The method of semiempiric-atomistic calculations is applied to a polydiene. For this purpose a Coulomb term has to be added to a potential set used successfully for polyolefines. All stable 4 *p/q helices of poly(trans-1,4-butadiene) are calculated. This yields a conformation for the low temperature phase which is in agreement with X-ray data in the literature. Chain conformations are proposed for the high temperature phase carefully considering the energies (determined in the single chain approximation) and the packing properties.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d7dc9a1f70bd01d3de7a60e02a39da60 https://doi.org/10.1007/bf01419315 Zobrazit plný text záznamu Full text from SpringerLink