Basha, C.A. (2007) Role of short range interactions in the charge of maximum adsorption. Journal of Theoretical and Computational Chemistry, 6 (4). pp. 715-729.

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Adsorption of solvent or organic compounds at a metal/interface is characterized by a wide spectrum of interactions governing the phenomenon under effective fields of order ≈ 107 V/cm. A generalized spin-1 Ising Hamiltonian was formulated by considering various interactions under molecular field approximation (MFA) to arrive at a three-state model of adsorption isotherm (i.e. the joint adsorption of two different organic compounds in the presence of solvent molecules). A general multi-state model was deduced heuristically and an expression for the charge (σM max) at which maximum adsorption (θmax) occurs derived explicitly for a three-state site parity model that incorporates short-range interaction energies, functional dependence of permanent and induced dipole moments of the organic adsorbate, and the solvent and substrate interactions.

Item Type: Article
Uncontrolled Keywords: Electrosorption; short-range and couloumbic interaction; dipolar; metal– electrolyte interface; field effect; surface thermodynamics
Subjects: Pollution Control
Theoretical Electrochemistry
Depositing User: ttbdar CECRI
Date Deposited: 29 Mar 2012 07:55
Last Modified: 29 Mar 2012 07:55

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