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Pure Appl. Chem., 2011, Vol. 83, No. 6, pp. 1243-1254

http://dx.doi.org/10.1351/PAC-CON-10-09-36

Published online 2011-05-04

A Gibbs energy minimization method for constrained and partial equilibria

Pertti Koukkari* and Risto Pajarre

VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT, Finland

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  • Lee Young-Jun, Kim Seung Hyun, Lee Tae-Hyuk, Nersisyan Hayk H., Lee Kap-Ho, Han Moon-Hee, Jeong Seong-Uk, Kang Kyoung-Soo, Bae Ki-Kwang, Lee Jong-Hyeon: Combustion synthesis and characterization of TaC, TaC/TaSi2, and TaC/TaB nanoparticles. Chemical Engineering Science 2014, 107, 227. <http://dx.doi.org/10.1016/j.ces.2013.12.015>
  • Kangas Petteri, Hannula Ilkka, Koukkari Pertti, Hupa Mikko: Modelling super-equilibrium in biomass gasification with the constrained Gibbs energy method. Fuel 2014. <http://dx.doi.org/10.1016/j.fuel.2014.03.034>
  • Pelton Arthur D., Koukkari Pertti, Pajarre Risto, Eriksson Gunnar: Para-equilibrium phase diagrams. The Journal of Chemical Thermodynamics 2014, 72, 16. <http://dx.doi.org/10.1016/j.jct.2013.12.023>
  • Pajarre Risto, Koukkari Pertti, Tanaka Toshihiro: Surface tension of a liquid metal–oxygen system using a multilayer free energy model. IJMR 2013, 104, 736. <http://dx.doi.org/10.3139/146.110921>
  • Benthin Steffi, Speiser Bernd: EChem++ – An object-oriented problem solving environment for electrochemistry. Part 7: Simulation of equilibrium electron transfer processes with implicit Dirichlet boundary conditions. Journal of Electroanalytical Chemistry 2012, 682, 147. <http://dx.doi.org/10.1016/j.jelechem.2012.07.024>
  • Toikka Maria, Toikka Alexander: Peculiarities of phase diagrams of reactive liquid–liquid systems. Pure Appl. Chem. 2012, 1. <http://dx.doi.org/10.1351/PAC-CON-12-05-07>