Ariel Chialvo  -  ORCID # 0000-0002-6091-4563
Ariel Chialvo - ORCID # 0000-0002-6091-4563
Oak Ridge National Laboratory (Retired)
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Ion adsorption at the rutile− water interface: Linking molecular and macroscopic properties
Z Zhang, P Fenter, L Cheng, NC Sturchio, MJ Bedzyk, M Předota, ...
Langmuir 20 (12), 4954-4969, 2004
Electric double layer at the rutile (110) surface. 1. Structure of surfaces and interfacial water from molecular dynamics by use of ab initio potentials
M Předota, AV Bandura, PT Cummings, JD Kubicki, DJ Wesolowski, ...
The Journal of Physical Chemistry B 108 (32), 12049-12060, 2004
From dimer to condensed phases at extreme conditions: Accurate predictions of the properties of water by a Gaussian charge polarizable model
P Paricaud, M Předota, AA Chialvo, PT Cummings
The Journal of chemical physics 122 (24), 244511, 2005
Water in carbon nanotubes: Adsorption isotherms and thermodynamic properties from molecular simulation
A Striolo, AA Chialvo, KE Gubbins, PT Cummings
The Journal of chemical physics 122 (23), 234712, 2005
Water adsorption in carbon-slit nanopores
A Striolo, AA Chialvo, PT Cummings, KE Gubbins
Langmuir 19 (20), 8583-8591, 2003
Engineering a simple polarizable model for the molecular simulation of water applicable over wide ranges of state conditions
AA Chialvo, PT Cummings
The Journal of chemical physics 105 (18), 8274-8281, 1996
Solute‐induced effects on the structure and thermodynamics of infinitely dilute mixtures
AA Chialvo, PT Cummings
AIChE journal 40 (9), 1558-1573, 1994
Na+–Cl ion pair association in supercritical water
AA Chialvo, PT Cummings, HD Cochran, JM Simonson, RE Mesmer
The Journal of chemical physics 103 (21), 9379-9387, 1995
Hydrogen bonding in supercritical water
AA Chialvo, PT Cummings
The Journal of chemical physics 101 (5), 4466-4469, 1994
Microstructure of ambient and supercritical water. Direct comparison between simulation and neutron scattering experiments
AA Chialvo, PT Cummings
The Journal of Physical Chemistry 100 (4), 1309-1316, 1996
Molecular dynamics study of the structure and thermophysical properties of model sI clathrate hydrates
AA Chialvo, M Houssa, PT Cummings
The Journal of Physical Chemistry B 106 (2), 442-451, 2002
Molecular-based modeling of water and aqueous solutions at supercritical conditions
AA Chialvo, PT Cummings
Advances in Chemical Physics 109, 115-206, 1999
Supercritical fluid behavior at nanoscale interfaces: Implications for CO2 sequestration in geologic formations
DR Cole, AA Chialvo, G Rother, L Vlcek, PT Cummings
Philosophical Magazine 90 (17-18), 2339-2363, 2010
Determination of the Gibbs free energy of gas replacement in SI clathrate hydrates by molecular simulation
EM Yezdimer, PT Cummings, AA Chialvo
The Journal of Physical Chemistry A 106 (34), 7982-7987, 2002
Understanding controls on interfacial wetting at epitaxial graphene: Experiment and theory
H Zhou, P Ganesh, V Presser, MCF Wander, P Fenter, PRC Kent, D Jiang, ...
Physical Review B 85 (3), 035406, 2012
Simulated water adsorption isotherms in carbon nanopores
A Striolo, KE Gubbins, AA Chialvo, PT Cummings
Molecular Physics 102 (3), 243-251, 2004
Molecular dynamics study of solute-solute microstructure in attractive and repulsive supercritical mixtures
AA Chialvo, PG Debenedetti
Industrial & engineering chemistry research 31 (5), 1391-1397, 1992
The structure of aqueous solutions over a wide range of concentration. Interpretation of diffraction experiments via molecular simulation
AA Chialvo, JM Simonson
The Journal of chemical physics 119 (15), 8052-8061, 2003
Effect of temperature on the adsorption of water in porous carbons
A Striolo, KE Gubbins, MS Gruszkiewicz, DR Cole, JM Simonson, ...
Langmuir 21 (21), 9457-9467, 2005
Molecular simulation study of solvation structure in supercritical aqueous solutions
PT Cummings, AA Chialvo, HD Cochran
Chemical engineering science 49 (17), 2735-2748, 1994
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