Hydrothermal properties of the COS/D2 water model: a polarizable charge-on-spring water model, at elevated temperatures and pressures-Reference-Cited by-同舟云学术

Hydrothermal properties of the COS/D2 water model: a polarizable charge-on-spring water model, at elevated temperatures and pressures

Published:2015 Issue:93 Volume:5 Page:75846-75856
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Steele-MacInnis Matthew¹²³⁴⁵,Reimer Joachim⁶⁷⁸⁹,Bachmann Stephan¹⁰¹¹¹²⁹

Affiliation:

1. Department of Geosciences

2. The University of Arizona

3. Tucson

4. USA

5. Institute for Geochemistry and Petrology

6. Laboratory for Bioenergy and Catalysis

7. Paul Scherrer Institute

8. 5232 Villigen PSI

9. Switzerland

10. Laboratory of Physical Chemistry

11. ETH Zürich

12. CH-8093 Zürich

Abstract

Molecular simulations have been conducted to assess the pVT properties and static permittivity of the charge-on-spring polarizable water model COS/D2 at hydrothermal conditions from 300 to 450 °C and bulk densities of 0.001 to 1.0 g cm⁻³.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA13495A

Reference92 articles.

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