Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulations-Reference-Cited by-同舟云学术

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Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulations

Published:2021-11-14 Issue:18 Volume:155 Page:184501
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Saravi Sina Hassanjani¹^ORCID,Panagiotopoulos Athanassios Z.¹^ORCID

Affiliation:

1. Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, USA

Funder

European Union’s Horizon 2020 Research and Innovation Program

ERC Advanced Grant Project “New Paradigm in Electrolyte Thermodynamics”

Princeton Center for Complex Materials

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0064963

Reference69 articles.

1. Corrosion problems and solutions in oil, gas, refining and petrochemical industry

2. A Quinone Anode for Lithium‐Ion Batteries in Mild Aqueous Electrolytes

3. Modeling technologies for desalination of brackish water — toward a sustainable water supply

4. Modeling multicomponent ion transport to investigate selective ion removal in electrodialysis

5. Ion Transport across Biological Membranes by Carborane-Capped Gold Nanoparticles

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1. Electrokinetic properties of NaCl solution via molecular dynamics simulations with scaled-charge electrolytes;The Journal of Chemical Physics;2024-07-28

2. Accuracy limit of non-polarizable four-point water models: TIP4P/2005 vs OPC. Should water models reproduce the experimental dielectric constant?;The Journal of Chemical Physics;2024-07-24

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4. Effect of Salinity on CO₂ Thermodiffusion in Aqueous Mixtures by Molecular Dynamics Simulations;ACS Sustainable Chemistry & Engineering;2023-11-15

5. Resurrection of Hückel’s idea: Decoupling ion–ion and ion–water terms in activity coefficients via the state-dependent dielectric constant;Fluid Phase Equilibria;2023-09

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