Robert E. Mesmer

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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 aqueous NaCl solution in the vicinity of the solvent’s critical point. The association constant for the ion pair Na/Cl and the constant of equilibrium between the(More)
The quantity of water retained by rock samples taken from three wells located in The Geysers geothermal reservoir, California, was measured at 150, 200, and 250 "C as a function of pressure in the range 0.00 5 p/po s 0.98, where po is the saturated water vapor pressure. Both adsorption (increasing pressure) and desorption (decreasing pressure) runs were(More)
Molecular dynamics (MD) calculations have been performed to determine equilibrium structure and properties of systems modeling supercritical (SC) water and SC aqueous solutions at two states near the critical point using the simple point charge (SPC) potential model of Berendsen et al. for water. Both thermodynamic and dielectric properties from the(More)
Our molecular-based formalism for infinitely dilute supercritical nonelectrolyte solutions is extended to electrolyte solutions by establishing rigorous connections between the microscopic behavior of the solvent around individual ionic species and their macroscopic solvation behavior. The formalism relies on the unambiguous splitting of the mixture’s(More)