Kuveneshan Moodley

Application of the bio-inspired Krill Herd optimization technique to phase equilibrium calculations

Abstract The Krill Herd optimization technique, which is based on the simulated herding behaviour of the krill crustacean, is applied to calculations involving phase equilibrium and phase stability, as the application of this emerging technique is extremely limited in the literature. In this work, the Krill Herd algorithm (KH) 1 and the modified Levy-flight Krill Herd algorithm (LKH) 2 has been applied to phase stability (PS) 3 and phase equilibrium calculations in non-reactive (PE) 4 and reactive (rPE) 5 systems, where global minimization of the total Gibbs energy is necessary. Several phase stability and phase equilibrium systems were considered for the analysis of the performance of the technique that includes both vapour and liquid phase conditions. The Krill Herd algorithm was found to reliably determine the desired global optima in PS, PE and rPE problems with generally higher success rates and lower computing time requirements than previously applied metaheuristic techniques such as those involving swarm intelligence and genetic and evolutionary algorithms.

Model Evaluation for the Prediction of Solubility of Active Pharmaceutical Ingredients (APIs) to Guide Solid-Liquid Separator Design

Graphical Abstract A guide for the selection of predictive models is provided, which considers various solute and solvent properties, such as molecular mass, functional group diversity and hydrophobia/hydrophilia Unlabelled image