Sodium Chloride in Supercritical Water as a Function of Density: Potentials of Mean Force and an Equation for the Dissociation Constant from 723 to 1073 K and from 0 to 0.9 g/cm3-Reference-Cited by-同舟云学术

Sodium Chloride in Supercritical Water as a Function of Density: Potentials of Mean Force and an Equation for the Dissociation Constant from 723 to 1073 K and from 0 to 0.9 g/cm3

Published:2008-05-21 Issue:24 Volume:112 Page:7289-7297
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Liu Wenbin¹,Wood Robert H.¹,Doren Douglas J.¹

Affiliation:

1. Quest Pharmaceutical Services, Newark, DE 19711, and Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp800686s

Reference45 articles.

1. Free energies of solvation with quantum mechanical interaction energies from classical mechanical simulations

2. Exploring the ab initio/classical free energy perturbation method: The hydration free energy of water

3. Prediction of the Gibbs energies and an improved equation of state for water at extreme conditions from ab initio energies with classical simulations

4. The Hydration Free Energy of Aqueous Na+ and Cl- at High Temperatures Predicted by ab Initio/Classical Free Energy Perturbation: 973 K with 0.535 g/cm3 and 573 K with 0.725 g/cm3

5. Hydration free energy and potential of mean force for a model of the sodium chloride ion pair in supercritical water with ab initio solute–solvent interactions

Cited by 11 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Alkali metal chlorides in DMSO–methanol binary mixtures: insights into the structural properties through molecular dynamics simulations;Theoretical Chemistry Accounts;2021-11-12

2. Concentrated brines in aqueous methanolic solutions in supercritical conditions: Effect of concentration and composition from molecular dynamics simulations;Fluid Phase Equilibria;2021-05

3. Structural and Dynamical Properties of Alkaline Earth Metal Halides in Supercritical Water: Effect of Ion Size and Concentration;The Journal of Physical Chemistry B;2017-11-10

4. Solvation structures and dynamics of alkaline earth metal halides in supercritical water: A molecular dynamics study;Chemical Physics;2016-09

5. Molecular dynamics simulations of Na+-Cl− ion-pair in supercritical methanol;The Journal of Supercritical Fluids;2015-08