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- W1981285503 abstract "The validity of the simple mean field approximation when it is applied to monolayers adsorbed on electrode surfaces is tested by the Monte-Carlo technique. Using two-, three- and eight-state solvent models it was found that the validity of this approximation depends mainly upon the short-range interaction parameter. If this parameter is close to zero, the mean field approximation gives results that are in excellent agreement with the Monte-Carlo method otherwise the predictions of the mean field approximation exhibit reasonable deviations from those of the Monte-Carlo method over a wide range of molecular parameters. Significant deviations among the results obtained from the mean-field approximation, the quasi-chemical approximation and the Monte-Carlo method may be observed under extreme conditions of very strong electric fields. Under these conditions there are evidences for the existence of a peculiar phase transition appearing below a critical adsorbate concentration and characterized by two or three transition potentials. Another peculiar phase transition exhibiting just one transition potential is also detected and discussed." @default.
- W1981285503 created "2016-06-24" @default.
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- W1981285503 date "2002-03-01" @default.
- W1981285503 modified "2023-09-27" @default.
- W1981285503 title "A Monte-Carlo test of the mean field approximation used for the modeling of the adsorption of organic compounds on electrodes. Evidences for existence of peculiar phase transitions" @default.
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- W1981285503 doi "https://doi.org/10.1016/s0013-4686(02)00007-5" @default.
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