Conformations and chain dimensions of poly(ethylene oxide) in aqueous solution: A molecular dynamics simulation study [6]

Journal of the American Chemical Society

Volumn 122, Issue 39, 2000, Pages 9548-9549

  Smith, Grant D ^a   Bedrov, Dmitry ^a   Borodin, Oleg ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MACROGOL;

AQUEOUS SOLUTION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFORMATION; LETTER; MOLECULAR DYNAMICS; SIMULATION; STRUCTURE ANALYSIS;

EID: 0034605457     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja001053j     Document Type: Letter

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10. Smith, G. D.; Yoon, D. Y.; Jaffe, R. L. Macromolecules 1993, 26, 5213. For melt and solution calculations, a preexponential factor of 0.51 was used for the C-C g statistical weight. The corresponding reduced entropy is consistent with increased ordering resulting from the polar interactions in the condensed phases that reduce the energy of the C-C g state (see Table 1).
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