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ESTIMATION OF FREE-VOLUME FOR GASEOUS PENETRANTS IN ELASTOMERIC MEMBRANES BY MONTE-CARLO SIMULATIONS

被引：20
作者：
TROHALAKI, S
DEBOLT, LC
MARK, JE
FRISCH, HL
机构：
[1] UNIV CINCINNATI,DEPT CHEM,CINCINNATI,OH 45221
[2] UNIV CINCINNATI,POLYMER RES CTR,CINCINNATI,OH 45221
[3] SUNY ALBANY,DEPT CHEM,ALBANY,NY 12222
来源：
MACROMOLECULES | 1990年 / 23卷 / 03期
关键词：
D O I：
10.1021/ma00205a020
中图分类号：
O63 [高分子化学（高聚物）];
学科分类号：
070305 ; 080501 ; 081704 ;
摘要：
Theoretical aspects of the diffusion of small molecules in elastomeric polymer membranes are explored using a Monte Carlo simulation to estimate the free volume fraction in two typical siloxane elastomers. The model took into account the specific chemical structure of the polymer through the rotational isomeric state approximation. Calculated results for the two polymers agree semiquantitatively with experimentally determined diffusion coefficients. © 1990, American Chemical Society. All rights reserved.
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页码：813 / 816
页数：4
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