Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments-Reference-Cited by-同舟云学术

Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

Published:2011-01-18 Issue:5 Volume:115 Page:2076-2088
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Skelton A. A.¹,Fenter P.²,Kubicki J. D.³,Wesolowski D. J.⁴,Cummings P. T.¹⁴

Affiliation:

1. Department of Chemical Engineering, Vanderbilt University, Nashville, Tennessee 37240, United States

2. Chemical Sciences and Engineering, Argonne National Laboratory, Argonne, Illinois 60439, United States

3. Department of Geosciences, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

4. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp109446d

Reference85 articles.

1. A unified approach to mechanical compaction, pressure solution, mineral reactions and the temperature distribution in hydrocarbon basins

2. Thermodynamics of SiO2–H2O fluid near the upper critical end point from quartz solubility measurements at 10 kbar

3. Detection of surface hydroxyl species on quartz, γ-alumina, and feldspars using diffuse reflectance infrared spectroscopy

4. Chemical weathering in a tropical watershed, Luquillo Mountains, Puerto Rico III: quartz dissolution rates

5. Genetically engineered polypeptides for inorganics: A utility in biological materials science and engineering

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