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An improved CAEDMON program for the adsorption isotherms of heterogeneous substrates

1979; Elsevier BV; Volume: 70; Issue: 1 Linguagem: Inglês

10.1016/0021-9797(79)90020-1

1095-7103

Richard S. Sacher, Ian D. Morrison,

Surface Modification and Superhydrophobicity

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.