Statistical thermodynamics and molecular simulation. Particularly focusing on the Gibbs ensemble simulations, second and third virial coefficients optimization of force field parameters, and molecular simulation of thermodynamic properties of mixtures of industrial importance.
Equations of state (EOS) and their development. Particularly focusing on the SAFT EOS and the cubic EOS and their associated mixing rules, especially the molecularly based MADAR-1 mixing rules developed by Ali Al-Matar and David Rockstraw, and the Waldman-Hagler mixing rules modified by Al-matar for use in equations of state implemented in process simulators e.g., ASPEN PLUS.
Solvent extraction and leaching. Particular emphasis is placed on phosphate related industries including purification of phosphoric acid and uranium extraction from phosphoric acid.
Modeling in chemical engineering. Particular emphasis is placed recently on modeling supercritical fluid extraction with cubic equations of state and its improvement via improved mixing rules and weighting matrix approaches to replace the binary interaction parameters approach in use currently.