The Experts below are selected from a list of 258 Experts worldwide ranked by ideXlab platform
Donald J Winzor - One of the best experts on this subject based on the ideXlab platform.
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reappraisal of disparities between osmolality estimates by Freezing Point Depression and vapor pressure deficit methods
Biophysical Chemistry, 2004Co-Authors: Donald J WinzorAbstract:As a response to recent expression of concern about possible unreliability of vapor pressure deficit measurements K Kiyosawa, Biophys. Chem. 104 (2003) 171-188), the results of published studies on the temperature dependence of the osmotic pressure of aqueous polyethylene glycol solutions are shown to account for the observed discrepancies between osmolality estimates obtained by Freezing Point Depression and vapor pressure deficit osmometry - the cause of the concern. (C) 2003 Elsevier B.V. All rights reserved.
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Reappraisal of disparities between osmolality estimates by Freezing Point Depression and vapor pressure deficit methods.
Biophysical chemistry, 2004Co-Authors: Donald J WinzorAbstract:As a response to recent expression of concern about possible unreliability of vapor pressure deficit measurements (K. Kiyosawa, Biophys. Chem. 104 (2003) 171-188), the results of published studies on the temperature dependence of the osmotic pressure of aqueous polyethylene glycol solutions are shown to account for the observed discrepancies between osmolality estimates obtained by Freezing Point Depression and vapor pressure deficit osmometry--the cause of the concern.
Paola Gallo - One of the best experts on this subject based on the ideXlab platform.
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molecular dynamics simulations of Freezing Point Depression of tip4p 2005 water in solution with nacl
Journal of Molecular Liquids, 2018Co-Authors: M M Conde, Mauro Rovere, Paola GalloAbstract:Abstract Molecular dynamics simulations have been performed on an aqueous solution of TIP4P/2005 water and NaCl using the direct coexistence technique to determine the equilibrium line ice/NaCl solution and the Freezing Point Depression of water in presence of NaCl at different salt concentrations below the eutectic Point. We used large samples in order to avoid finite size effects and to minimize the error on the determination of the Freezing temperature. Our results are in excellent agreement with the experimental Freezing Point Depression showing that the set of parameters used in this work for the water and NaCl is a very good choice to reproduce the thermodynamic properties of the water/NaCl system with molecular dynamics simulations.
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Molecular dynamics simulations of Freezing-Point Depression of TIP4P/2005 water in solution with NaCl
Journal of Molecular Liquids, 2018Co-Authors: M M Conde, Mauro Rovere, Paola GalloAbstract:Abstract Molecular dynamics simulations have been performed on an aqueous solution of TIP4P/2005 water and NaCl using the direct coexistence technique to determine the equilibrium line ice/NaCl solution and the Freezing Point Depression of water in presence of NaCl at different salt concentrations below the eutectic Point. We used large samples in order to avoid finite size effects and to minimize the error on the determination of the Freezing temperature. Our results are in excellent agreement with the experimental Freezing Point Depression showing that the set of parameters used in this work for the water and NaCl is a very good choice to reproduce the thermodynamic properties of the water/NaCl system with molecular dynamics simulations.
Kevin G. Brown - One of the best experts on this subject based on the ideXlab platform.
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predicting the spinel nepheline liquidus for application to nuclear waste glass processing part ii quasicrystalline Freezing Point Depression model
Journal of the American Ceramic Society, 2007Co-Authors: Carol M. Jantzen, Kevin G. BrownAbstract:The crystal-melt equilibria in complex 15-component-simulated high-level waste (HLW) glass melts are modeled based on quasicrystalline concepts that are discussed in Part I. A pseudobinary phase diagram between a transition metal ferrite spinel (an incongruent melt product of a transition metal iron-rich acmite) and nepheline is defined based on calculation of the quasicrystalline melt precursors calculated by a Freezing Point Depression approach. The pseudobinary lies within the Al2O3–Fe2O3–Na2O–SiO2 quaternary system that defines the crystallization of basalt glass melts. The modeling provides the partitioning of species between the melt and the primary liquidus phases. The medium-range order of the melt and the melt-crystal exchange equilibria are defined based on a constrained mathematical treatment that considers the crystallochemical coordination of the elemental species in acmite and nepheline. The liquidus phases that form are shown to be governed by the melt polymerization (Part II) and the thermodynamic octahedral site preference energies (Part I). The liquidus model developed based on these concepts has been used to prevent unwanted crystallization in the world's largest HLW melter for the past 4 years while allowing >10 wt% higher waste loadings to be processed.
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Predicting the Spinel–Nepheline Liquidus for Application to Nuclear Waste Glass Processing. Part II: Quasicrystalline Freezing Point Depression Model
Journal of the American Ceramic Society, 2007Co-Authors: Carol M. Jantzen, Kevin G. BrownAbstract:The crystal-melt equilibria in complex 15-component-simulated high-level waste (HLW) glass melts are modeled based on quasicrystalline concepts that are discussed in Part I. A pseudobinary phase diagram between a transition metal ferrite spinel (an incongruent melt product of a transition metal iron-rich acmite) and nepheline is defined based on calculation of the quasicrystalline melt precursors calculated by a Freezing Point Depression approach. The pseudobinary lies within the Al2O3–Fe2O3–Na2O–SiO2 quaternary system that defines the crystallization of basalt glass melts. The modeling provides the partitioning of species between the melt and the primary liquidus phases. The medium-range order of the melt and the melt-crystal exchange equilibria are defined based on a constrained mathematical treatment that considers the crystallochemical coordination of the elemental species in acmite and nepheline. The liquidus phases that form are shown to be governed by the melt polymerization (Part II) and the thermodynamic octahedral site preference energies (Part I). The liquidus model developed based on these concepts has been used to prevent unwanted crystallization in the world's largest HLW melter for the past 4 years while allowing >10 wt% higher waste loadings to be processed.
Keitaro Kiyosawa - One of the best experts on this subject based on the ideXlab platform.
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theoretical and experimental studies on Freezing Point Depression and vapor pressure deficit as methods to measure osmotic pressure of aqueous polyethylene glycol and bovine serum albumin solutions
Biophysical Chemistry, 2003Co-Authors: Keitaro KiyosawaAbstract:For survival in adverse environments where there is drought, high salt concentration or low temperature, some plants seem to be able to synthesize biochemical compounds, including proteins, in response to changes in water activity or osmotic pressure. Measurement of the water activity or osmotic pressure of simple aqueous solutions has been based on Freezing Point Depression or vapor pressure deficit. Measurement of the osmotic pressure of plants under water stress has been mainly based on vapor pressure deficit. However, differences have been noted for osmotic pressure values of aqueous polyethylene glycol (PEG) solutions measured by Freezing Point Depression and vapor pressure deficit. For this paper, the physicochemical basis of Freezing Point Depression and vapor pressure deficit were first examined theoretically and then, the osmotic pressure of aqueous ethylene glycol and of PEG solutions were measured by both Freezing Point Depression and vapor pressure deficit in comparison with other aqueous solutions such as NaCl, KCl, CaCl(2), glucose, sucrose, raffinose, and bovine serum albumin (BSA) solutions. The results showed that: (1) Freezing Point Depression and vapor pressure deficit share theoretically the same physicochemical basis; (2) theoretically, they are proportional to the molal concentration of the aqueous solutions to be measured; (3) in practice, the osmotic pressure levels of aqueous NaCl, KCl, CaCl(2), glucose, sucrose, and raffinose solutions increase in proportion to their molal concentrations and there is little inconsistency between those measured by Freezing Point Depression and vapor pressure deficit; (4) the osmotic pressure levels of aqueous ethylene glycol and PEG solutions measured by Freezing Point Depression differed from the values measured by vapor pressure deficit; (5) the osmotic pressure of aqueous BSA solution measured by Freezing Point Depression differed slightly from that measured by vapor pressure deficit.
M M Conde - One of the best experts on this subject based on the ideXlab platform.
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molecular dynamics simulations of Freezing Point Depression of tip4p 2005 water in solution with nacl
Journal of Molecular Liquids, 2018Co-Authors: M M Conde, Mauro Rovere, Paola GalloAbstract:Abstract Molecular dynamics simulations have been performed on an aqueous solution of TIP4P/2005 water and NaCl using the direct coexistence technique to determine the equilibrium line ice/NaCl solution and the Freezing Point Depression of water in presence of NaCl at different salt concentrations below the eutectic Point. We used large samples in order to avoid finite size effects and to minimize the error on the determination of the Freezing temperature. Our results are in excellent agreement with the experimental Freezing Point Depression showing that the set of parameters used in this work for the water and NaCl is a very good choice to reproduce the thermodynamic properties of the water/NaCl system with molecular dynamics simulations.
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Molecular dynamics simulations of Freezing-Point Depression of TIP4P/2005 water in solution with NaCl
Journal of Molecular Liquids, 2018Co-Authors: M M Conde, Mauro Rovere, Paola GalloAbstract:Abstract Molecular dynamics simulations have been performed on an aqueous solution of TIP4P/2005 water and NaCl using the direct coexistence technique to determine the equilibrium line ice/NaCl solution and the Freezing Point Depression of water in presence of NaCl at different salt concentrations below the eutectic Point. We used large samples in order to avoid finite size effects and to minimize the error on the determination of the Freezing temperature. Our results are in excellent agreement with the experimental Freezing Point Depression showing that the set of parameters used in this work for the water and NaCl is a very good choice to reproduce the thermodynamic properties of the water/NaCl system with molecular dynamics simulations.