Convergence of Kirkwood–Buff Integrals of Ideal and Nonideal Aqueous Solutions Using Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Convergence of Kirkwood–Buff Integrals of Ideal and Nonideal Aqueous Solutions Using Molecular Dynamics Simulations

Published:2018-01-17 Issue:21 Volume:122 Page:5515-5526
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Milzetti Jasmin¹,Nayar Divya¹,van der Vegt Nico F. A.¹^ORCID

Affiliation:

1. Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Center of Smart Interfaces, Technische Universität Darmstadt, Alarich-Weiss-Straße 10, 64287, Darmstadt, Germany

Funder

Deutsche Forschungsgemeinschaft

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/acs.jpcb.7b11831

Reference53 articles.

1. The Statistical Mechanical Theory of Solutions. I

2. Molecular Association in Solution: A Kirkwood−Buff Analysis of Sodium Chloride, Ammonium Sulfate, Guanidinium Chloride, Urea, and 2,2,2-Trifluoroethanol in Water

3. A Kirkwood−Buff Derived Force Field for Mixtures of Urea and Water

4. Kirkwood–Buff derived force field for mixtures of acetone and water

5. A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions

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