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- Alberto Striolo, Keith E Gubbins, +6 authors Karren L More
- Langmuir : the ACS journal of surfaces and…
- 2005

We report experimental and simulation studies to investigate the effect of temperature on the adsorption isotherms for water in carbons. Adsorption isotherms are measured by a gravimetric technique… (More)

- Ariel A Chialvo, Juske Horita
- The Journal of chemical physics
- 2009

The liquid-vapor equilibrium isotopic fractionation of water is determined by molecular-based simulation, via Gibbs ensemble Monte Carlo and isothermal-isochoric molecular dynamics involving two… (More)

- Veniamin B Polyakov, Juske Horita, Daniel R Cole, Ariel A Chialvo
- The journal of physical chemistry. B
- 2007

The corresponding-states principle (CSP) has been considered for the development of the equations of state (EOS) of minor isotopologues that are usually unknown. We demonstrate that, for… (More)

With the use of the grand canonical Monte Carlo simulation, water adsorption isotherms were determined for SPC/E water in slit-shaped graphitic nanopores at 298 K. The pore widths considered were… (More)

Molecular dynamics simulations of supercritical electrolyte solutions with three different ion–water models are performed to study the anion–cation potential of mean force of an infinitely dilute… (More)

Chemistry Department, Uni Versity of Tennessee, Knox Ville, Tennessee 37996-2200, Departments of Chemical Engineering, Chemistry and Computer Science, Uni Versity of Tennessee, Knox Ville, Tennessee… (More)

- Lukas Vlcek, Ariel A Chialvo
- The Journal of chemical physics
- 2015

We use the concept of statistical distance to define a measure of distinguishability between a pair of statistical mechanical systems, i.e., a model and its target, and show that its minimization… (More)

Institute of Thermodynamics and Thermal Process Engineering, Uni Versity of Stuttgart, 70550 Stuttgart, Germany, Department of Chemical Engineering, Uni Versity of Tennessee, Knox Ville, Tennessee… (More)

- Ariel A Chialvo, Matthias Kettler, Ivo Nezbeda
- The journal of physical chemistry. B
- 2005

To complete the study on the effect of the long-range part of Coulombic interactions on properties of complex polar and associating fluids, we have investigated in detail three compounds with extreme… (More)

- MILAN PRÏ EDOTA, P. T. Cummings, Ariel A Chialvo
- 2002

Pair approximation for polarization interaction and adiabatic nuclear and electronic sampling method for ̄uids with dipole polarizability MILAN PRÏ EDOTA, PETER T. CUMMINGS2;3¤ and ARIEL A. CHIALVO… (More)