IMPROVED CAEDMON PROGRAM FOR THE ADSORPTION-ISOTHERMS OF HETEROGENEOUS SUBSTRATES

被引:51
作者
SACHER, RS
MORRISON, ID
机构
[1] Department of Mathematical Sciences, Rensselaer Polytechnic Institute, Troy
[2] Xerox Corporation, Webster
基金
美国国家科学基金会;
关键词
D O I
10.1016/0021-9797(79)90020-1
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The numerical analysis of physical adsorption isotherms developed by Ross and Morrison [Surface Sci. 52, 103 (1975)] designated CAEDMON (Computed Adsorptive Energy Distribution in the MONolayer), has been improved by incorporating well-established optimization techniques for which uniqueness and convergence criteria exist. The techniques include Dantzig's simplex method for linear programming, a modification of the systematic overrelaxation (S.O.R.) algorithm, Lemke's complementary pivot algorithm, and a nonnegatively constrained linear least squares algorithm. The mathematical bases and the application of these methods are discussed. © 1979.
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页码:153 / 166
页数:14
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