Monte Carlo Simulation of NaCl–H<sub>2</sub>O Phase Equilibria: Comparison of Classical Force Fields-Reference-Cited by-同舟云学术

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Monte Carlo Simulation of NaCl–H₂O Phase Equilibria: Comparison of Classical Force Fields

Published:2022-11-25 Issue:12 Volume:67 Page:3661-3671
ISSN:0021-9568
Container-title:Journal of Chemical & Engineering Data
language:en
Short-container-title:J. Chem. Eng. Data

Author:

Maerzke Katie A.¹^ORCID,Yoon Tae Jun²^ORCID,Currier Robert P.³^ORCID

Affiliation:

1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

3. Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

Funder

Los Alamos National Laboratory

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jced.2c00528

Reference66 articles.

1. The Chemistry of Metal Transport and Deposition by Ore-Forming Hydrothermal Fluids

2. An improved model for CO2 solubility in aqueous electrolyte solution containing Na+, K+, Mg2+, Ca2+, Cl− and SO42− under conditions of CO2 capture and sequestration

3. Reaction engineering: The supercritical water hydrothermal synthesis of nano-particles

4. Hydrothermal Synthesis of Metal Oxide Fine Particles at Supercritical Conditions

5. Supercritical water oxidation: A technical review

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1. Water and Carbon Dioxide Capillary Bridges in Nanoscale Slit Pores: Effects of Temperature, Pressure, and Salt Concentration on the Water Contact Angle;Langmuir;2024-08-19

2. Structure of aqueous alkali metal halide electrolyte solutions from molecular simulations of phase-transferable polarizable models;Journal of Molecular Liquids;2024-01

3. Molecular dynamics study with COMPASS II forcefield on nucleation and growth mechanism of sodium chloride in supercritical water;The Journal of Supercritical Fluids;2023-11

4. Molecular simulations of alkali metal halide hydrates;Journal of Molecular Liquids;2023-08

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