A general algorithm using Mathematica 2.0 for calculting dlvo potential interactions and stability ratios in spherical colloidal particle systems

Issue title: II Congress of Theoretical and Computational Physical Chemistry, Choroni, Venezuela, 2008

Guest editors: H. Soscunxy, F. Ruettez and A. Sierraltaz

Article type: Research Article

Authors: Guaregua M., J.A.^{a; *} | Squitieri, E.^b | Mujica, V.^b

Affiliations: [a] Universidad de Carabobo, Facultad de Ciencias y Tecnología, Dpto. de Química, Apartado 3366, Bárbula 2005 – Valencia, Venezuela | [b] Universidad Central de Venezuela, Facultad de Ciencias, Escuela de Química, Apartado 47102, Caracas 1020-A, Venezuela | [x] Centro Nacional de Tecnologia Quimica CNTQ, Complejo Tecnologico Simon Rodriguez CTSR, La Carlota, Caracas, Venezuela | [y] Departamento de Quimica, Facultad Experimental de Ciencias, La Universidad del Zulia LUZ, Maracaibo, Venezuela | [z] Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas IVIC, Caracas, Venezuela

Correspondence: [*] Corresponding author. Tel.:/Fax: +58 241 868 82 29; E-mail: guaregua@uc.edu.ve.

Abstract: A general and numerical algorithm using Mathematica v. 2.0 is presented for calculating the stability ratios and interaction potential energy between two spherical colloidal particles according to the DLVO theory. The algorithm is applicable to electrolytes with any number of ionic species having any valence state and superficial potentials on the particles. The algorithm is versatile to allow change the values of the parameters that characterizes the colloidal system and is suitable to plot the stability curves for a given set of radii, Hamaker constant, superficial potential, electrolyte concentration range, and electrolyte valence. The algorithm was implemented on two models of DLVO interaction potential and is appropriate for analysis of coagulation tendencies of spherical colloidal particles.

Keywords: Colloidal particle, stability ratio, DLVO interaction potential, algorithm, Mathematica code

DOI: 10.3233/JCM-2009-0299

Journal: Journal of Computational Methods in Sciences and Engineering, vol. 9, no. 4-6, pp. 223-240, 2009