Search Results - "Simonson, J. M"

Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. I:  The Perspective on Local Structure from EXAFS and XANES by Fulton, John L, Heald, Steve M, Badyal, Yaspal S, Simonson, J. M

“…X-ray absorption fine structure (XAFS) spectroscopy was used to probe the effects of concentration on the first-shell structure of Ca2+ in aqueous solution…”
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Effect of Temperature on the Adsorption of Water in Porous Carbons by Striolo, A, Gubbins, K. E, Gruszkiewicz, M. S, Cole, D. R, Simonson, J. M, Chialvo, A. A, Cummings, P. T, Burchell, T. D, More, K. L

“…We report experimental and simulation studies to investigate the effect of temperature on the adsorption isotherms for water in carbons. Adsorption isotherms…”
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Water adsorption and desorption on microporous solids at elevated temperature by GRUSZKIEWICZ, M. S, SIMONSON, J. M, BURCHELL, T. D, COLE, D. R

“…An accurate gravimetric method was used to explore water adsorption/desorption isotherms between 105 and to 250 deg C for a number of synthetic and natural…”
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Irregular Ionic Lattice Model for Gas Solubilities in Ionic Liquids by Ally, Moonis R, Braunstein, Jerry, Baltus, Ruth E, Dai, Sheng, DePaoli, David W, Simonson, J. M

“…The irregular ionic lattice model (IILM) is applied to predict the vapor pressures and solubilities of carbon dioxide dissolved in…”
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Neutron-Scattering Determination of the Li+ Environment in an Aqueous Poly(Ethylene Oxide) Solution by Annis, B. K, Badyal, Y. S, Simonson, J. M

“…Neutron diffraction with isotopic substitution was used to assess the relative solvation interactions near lithium ions in a D2O/deuterated poly(ethylene…”
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H3O+/Cl- Association in High-Temperature Aqueous Solutions over a Wide Range of State Conditions. A Direct Comparison between Simulation and Electrical Conductance Experiment by Chialvo, A. A, Ho, P. C, Palmer, D. A, Gruszkiewicz, M. S, Cummings, P. T, Simonson, J. M

“…The radial profiles of the potential of mean force for the H3O+···Cl- pair are determined by constraint molecular dynamics of infinitely dilute…”
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D4c: A very high precision diffractometer for disordered materials by Fischer, H.E., Cuello, G.J., Palleau, P., Feltin, D., Barnes, A.C., Badyal, Y.S., Simonson, J.M.

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Aqueous solutions of the mono- and di-hydrogenphosphate salts of sodium and potassium at elevated temperatures. Isopiestic results by Holmes, H.F., Simonson, J.M., Mesmer, R.E.

“…Isopiestic molalities of aqueous solutions of Na2HPO4,K2HPO4 , NaH2PO4, and KH2PO4have been measured at intervals from T= 383.15 K to T= 498.15 K, with NaCl…”
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Guest disorder and high pressure behavior of argon hydrates by Yang, L., Tulk, C.A., Klug, D.D., Chakoumakos, B.C., Ehm, L., Molaison, J.J., Parise, J.B., Simonson, J.M.

“…The structure of argon hydrate was studied at ambient pressure and low temperature, and between 1.7 and 4.2 GPa at 295 K. The structure of argon hydrate was…”
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Interplay between Molecular Simulation and Neutron Scattering in Developing New Insights into the Structure of Water by Chialvo, Ariel A, Cummings, Peter T, Simonson, J. M, Mesmer, R. E, Cochran, H. D

“…For three decades, molecular models for water, nature's most important liquid, have been developed and refined by fitting to structure measured by neutron…”
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The enthalpy of dilution and thermodynamics of Na2CO3(aq) and NaHCO3(aq) from T = 298 K to T = 523.15 K and pressure of 40 MPa by POLYA, D. A, WOOLLEY, E. M, SIMONSON, J. M, MESMER, R. E

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Densities and apparent molar volumes of NaOH(aq) to the temperature 623 K and pressure to 30 MPa by CORTI, Horacio R, SIMONSON, J. M

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Thermodynamics of aqueous association and ionization reactions at high temperatures and pressures by Mesmer, R. E., Marshall, W. L., Palmer, D. A., Simonson, J. M., Holmes, H. F.

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Experimental studies in high temperature aqueous chemistry at Oak Ridge National Laboratory by Mesmer, R. E., Palmer, D. A., Simonson, J. M., Holmes, H. F., Ho, P. C., Wesolowski, D. J., Gruszkiewicz, M. S.

“…Abstract…”
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Molecular dynamics simulation of the limiting conductance of NaCl in supercritical water by Lee, S.H., Cummings, P.T., Simonson, J.M., Mesmer, R.E.

“…We report molecular dynamics calculations of the ionic mobility and limiting conductance of NaCl in supercritical water as a function of density along an…”
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Modeling of the thermodynamics of electrolyte solutions to high temperatures including ion association: application to hydrochloric acid by Simonson, J. M, Holmes, H. F, Busey, R. H, Mesmer, R. E, Archer, D. G, Wood, R. H

“…Two semiempirical models for the excess thermodynamic properties of electrolyte solutions are presented and applied to the available thermodynamic results for…”
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Apparent Molar Volumes of La(CF3SO3)3(aq) and Gd(CF3SO3)3(aq) at 278 K, 298 K, and 318 K at Pressures to 30.0 MPa by Xiao, Caibin, Tremaine, Peter R, Simonson, J. M

“…Densities of La(CF3SO3)3(aq) and Gd(CF3SO3)3(aq) have been measured at 278 K, 298 K, and 318 K at pressures of 0.1 MPa, 7.0 MPa, and 30.0 MPa using…”
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Enthalpy of dilution and the thermodynamics of NH4Cl(aq) to 523 K and 35 MPa by THIESSEN, W. E, SIMONSON, J. M

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Analysis of multiple isoenzyme expression among twenty-two species of Mycoplasma and Acholeplasma by O'Brien, S J, Simonson, J M, Grabowski, M W, Barile, M F

“…Article Usage Stats Services JB Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley…”
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On the molecular mechanism of surface charge amplification and related phenomena at aqueous polyelectrolyte-graphene interfaces by Chialvo, A. A, Simonson, J. M

“…Condens. Matter Phys., 2011, vol. 14, No. 3, 33002: 1-10 In this communication we illustrate the occurrence of a recently reported new phenomenon of…”
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