We present an overview of novel numerical methods for chemical equilibrium and kinetic
calculations for complex non-ideal multiphase systems. The methods we present for …

Abstract Treatment of polluted soil is one of the priorities in the search of a more sustainable
planet. Electrochemically assisted soil remediation has been considered a good option for …

A physiscochemical model is presented for the reactive-transport of chemical scpecies
through a contaminated soil during an acid-enhanced electrokinetic remediation treatment …

Salinity is one of the most common water quality threats in river basins and irrigated regions
worldwide. However, no available numerical models simulate all major processes affecting …

The self-assembly mechanisms of polyoxometalates (POMs) are still a matter of discussion
owing to the difficult task of identifying all the chemical species and reactions involved. We …

A three-dimensional coupled groundwater reactive transport and equilibrium chemistry
model is presented that simulates the fate and transport of major salt ions in agricultural …

Motivated by approximation Bayesian computation using mean-field variational
approximation and the computation of equilibrium in multi-species systems with cross …

Although there is a lot of experimental work published about the use of Electrokinetic
Remediation for the removal of toxic metals from soils, very few have reported results for …

The consumption of cyanide during processing operations is a major economic cost in the
extraction of gold from its ores, while the discharge of cyanide wastes may result in …

Since already a few decades, researchers developed tools to predict chemical reactions in
the context of the chemical industry. Numerical tools are now available to predict final …