Effect of surface oxidation on interfacial water structure at a pyrite (100) surface as studied by molecular dynamics simulation

Author:

Jin Jiaqi,Miller Jan D.,Dang Liem X.,Wick Collin D.

Funder

DOE

Publisher

Elsevier BV

Subject

Geochemistry and Petrology,Geotechnical Engineering and Engineering Geology

Reference62 articles.

1. The interfacial density profile of a Lennard‐Jones fluid in contact with a (100) Lennard‐Jones wall and its relationship to idealized fluid/wall systems: a Monte Carlo simulation;Abraham;J. Chem. Phys.,1978

2. The bihydroxide (H3O2−) anion. A very short, symmetric hydrogen bond;Abu-Dari;J. Am. Chem. Soc.,1979

3. The missing term in effective pair potentials;Berendsen;J. Phys. Chem.,1987

4. Arsenic incorporation into FeS2 pyrite and its influence on dissolution: a DFT study;Blanchard;Geochim. Cosmochim. Acta,2007

5. The classical equation of state of gaseous helium, neon and argon;Buckingham;Proc. R. Soc. Lond. A Math. Phys. Sci.,1938

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