EST is an Excel add-in
(xla) for Microsoft Excel
97, 2000, XP for the simulation of chemical equilibria in solution. The
calculates the thermodynamic equilibrium concentrations of species in
and non aqueous chemical systems. It handles homogeneous (complexation,
acid-base, redox) and heterogeneous equilibria (solubility and
with other solvent or gas phase). Corrections for ionic strength can be
and activities calculated. It allows the users to simulate, or to
from experimental data, desired chemical-physical parameters as well as
interact with other available or freely created Excel tools. It is
on classical Newton-Raphson method applied to mass balance and mproved
using a robust Genetic Algorithm.The
computational methods developed in EST are shown to be very reliable
when applied to homogeneous or heterogenous equilibrium systems.
is released as Open Source
under the Educational Community License version 2.0.
Citation: "A Novel Multipurpose Excel Tool for Equilibrium Speciation
on Newton-Raphson Method and on a Hybrid Genetic Algorithm"
S. del Piero, A. Melchior, P. Polese, R. Portanova, M. Tolazzi Annali
di Chimica 96 (2006) 29-49