A suite of programs,OptimA, OptimB,OptimC, and OptimS compatible with the Unitherm database,for deriving the thermodynamic properties of aqueous species from solubility,potentiometry and spectroscopy measurements |
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| Institution: | 1. State Key Laboratory of Geological Processes and Mineral Resources, China University of Geosciences, Beijing 100083, China;2. Department of Earth, Ocean and Atmospheric Sciences Florida State University Tallahassee, FL 32310, USA;1. Hiruzen Institute for Geology and Chronology, Co., Ltd., 2-5 Nakashima, Nakaku, Okayama 703-8252, Japan;2. Department of Geology, Hanoi University of Mining and Geology, Dong Ngac, Tu Liem, Hanoi, Vietnam;3. Research Institute of Natural Sciences, Okayama University of Science, 1-1 Ridai-cho, Kita-ku, Okayama 700-0005, Japan;4. Department of Earth Sciences, University of Torino, via Valperga Caluso 35, 10125 Torino, Italy;1. State Key Laboratory of Geological Processes and Mineral Resources, China University of Geosciences, Beijing 100083, China;2. Shandong Institute of Geological Survey, Jinan 250013, China;3. Lingnan Gold Mine, Shandong Zhongkuang Group Co., Ltd., Zhaoyuan 265401, China;1. Paul Scherrer Institute, Laboratory for Waste Management, Villigen PSI 5232, Switzerland;2. University of Bristol, School of Earth Sciences, Wills Memorial Building, Queen''s Road, Bristol BS8 1RJ, UK;3. University of Melbourne, School of Engineering, Melbourne 3010, Australia |
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| Abstract: | This paper describes four programs for Windows, designed to obtain the thermodynamic properties of aqueous species from experimental data and reporting them in the Unitherm database format (HCh software package). Programs OptimA and OptimS allow users to derive the standard Gibbs free energies of aqueous species from the results of chemical experiments (e.g., potentiometry or solubility) and from ultraviolet–visible (UV–Vis) absorption spectra, respectively; programs OptimB and OptimC enable optimization of the parameters of the revised Helgeson–Kirkham–Flowers equation of state and the modified Ryzhenko–Bryzgalin electrostatic model, respectively, for an aqueous species from its standard Gibbs free energy or stability constant as a function of temperature and pressure. |
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