Journal Article10.1016/S0016-7037(01)00678-0
Correlation strategy for determining the parameters of the revised Helgeson-Kirkham-Flowers model for aqueous nonelectrolytes
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TL;DR: In this paper, the authors proposed a correlation algorithm for estimating parameters of the revised Helgeson-Kirkham-Flowers (HKF) model for aqueous nonelectrolyte solutes.
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About: This article is published in Geochimica et Cosmochimica Acta. The article was published on 01 Nov 2001.
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Citations
Biomolecules in hydrothermal systems: Calculation of the standard molal thermodynamic properties of nucleic-acid bases, nucleosides, and nucleotides at elevated temperatures and pressures
TL;DR: In this paper, the standard molal thermodynamic properties of the 120 common protonated and deprotonated nucleotides and their constituent nucleic-acid bases and nucleosides as a function of temperature and pressure were calculated using the modified HKF equations of state, which can be used to carry out mass transfer and Gibbs energy calculations to describe and quantify the chemical interaction of minerals and microbes in hydrothermal systems.
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Comparison of thermodynamic data files for PHREEQC
TL;DR: The authors of the PHREEQC program clearly stated that the choice of thermodynamic data files (TDFs) is the responsibility of the user as mentioned in this paper , and the TDFs are distributed along with the software release without detailed documentation or critical evaluation.
54
Internally consistent thermodynamic data for aqueous species in the system Na-K-Al-Si-O-H-Cl
TL;DR: In this article, a large amount of critically evaluated experimental data on mineral solubility was used to simultaneously refine the standard state Gibbs energies of aqueous ions and complexes in the framework of the revised Helgeson-Kirkham-Flowers equation of state.
52
Complexation of gold in S3--rich hydrothermal fluids: Evidence from ab-initio molecular dynamics simulations
TL;DR: In this paper, the authors investigated the complexation of Au and S3− in aqueous fluids by ab-initio molecular dynamics (MD) simulations and showed that, in contrast to results of static calculations that show a symmetric Au-S3 complex with bidentate structure, Au+ forms linear complexes with S3 −.
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Carbon speciation in saline solutions in equilibrium with aragonite at high pressure
TL;DR: In this article, an integrated experimental and theoretical study of carbon speciation and solubility during equilibration of aragonite with NaCl solutions at 300°C from 20 to 70kbar was presented.
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J. D. Cox,Donald D. Wagman,V. A. Medvedev +2 more
- 01 Jan 1989
TL;DR: The Committee on Data for Science and Technology (CODATA) as discussed by the authors conducted a project to establish internationally agreed values for the thermodynamic properties of key chemical substances, including the standard enthalpy of formation at 298.15 K, the entropy at 298,15 K and the quantity H ° (298.15 k)-H ° (0).