Computational methods for fitting statistical distribution models of multi-site binding equilibria |
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| Authors: | Rudolph S Parrish and E Michael Perdue |
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| Institution: | (1) Computer Sciences Corporation, c/o U. S. Environmental Protection Agency, College Station Road, 30613 Athens, Georgia;(2) School of Geophysical Sciences, Georgia Institute of Technology, 30332 Atlanta, Georgia |
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| Abstract: | Statistical distribution models of multi-site binding equilibria have potential applicability in the study of acid-base and metal complexation chemistry of humic substances in soils, sediments, and natural waters. A mathematical derivation is presented for the general continuous model for the case of proton binding; computational methods are described for fitting numerically the parameters in such models. Among models considered are those based on nontruncated, truncated, and bimodal (mixed) distributions. Specific emphasis is placed on Gaussian distribution models. |
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| Keywords: | Gaussian distribution humic substances metal binding multi-site binding equilibria proton binding statistical distribution |
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