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Pierluigi Polese*, Silvia Del Piero, Andrea Melchior, Roberto Portanova, Marilena Tolazzi. Dipartimento di Scienze e Tecnologie Chimiche, UniversitÓ di Udine, Via Cotonificio 108, I-33100 Udine, Italy.

EST is an Excel add-in (xla) for Microsoft Excel 97, 2000, XP for the simulation of chemical equilibria in solution. The program calculates the thermodynamic equilibrium concentrations of species in aqueous and non aqueous chemical systems. It handles homogeneous (complexation, acid-base, redox) and heterogeneous equilibria (solubility and distribution with other solvent or gas phase). Corrections for ionic strength can be made and activities calculated. It allows the users to simulate, or to obtain from experimental data, desired chemical-physical parameters as well as to interact with other available or freely created Excel tools. It is based on classical Newton-Raphson method applied to mass balance and mproved by using a robust Genetic Algorithm. The computational methods developed in EST are shown to be very reliable also when applied to homogeneous or heterogenous equilibrium systems.

EST is released as Open Source under the Educational Community License version 2.0.
Citation: "A Novel Multipurpose Excel Tool for Equilibrium Speciation Based 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  (PDF)


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Last UpdatedMay 6, 2017 - Pierluigi Polese


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