Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acid.
about
Computational methodology for solubility prediction: Application to the sparingly soluble solutes.Solubility of NaCl in water by molecular simulation revisited.Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure.Ion-specific adsorption and electroosmosis in charged amorphous porous silica.Simple electrolyte solutions: comparison of DRISM and molecular dynamics results for alkali halide solutions.Free energy calculations for molecular solids using GROMACS.Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation.Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations.A potential model for sodium chloride solutions based on the TIP4P/2005 water model.Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations.Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency tests.Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route.Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations.
P2860
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P2860
Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acid.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh
2012年學術文章
@zh-hant
name
Molecular simulation of aqueou ...... ater and in hydrochloric acid.
@en
Molecular simulation of aqueou ...... ater and in hydrochloric acid.
@nl
type
label
Molecular simulation of aqueou ...... ater and in hydrochloric acid.
@en
Molecular simulation of aqueou ...... ater and in hydrochloric acid.
@nl
prefLabel
Molecular simulation of aqueou ...... ater and in hydrochloric acid.
@en
Molecular simulation of aqueou ...... ater and in hydrochloric acid.
@nl
P356
P1476
Molecular simulation of aqueou ...... ater and in hydrochloric acid.
@en
P2093
William R Smith
P304
P356
10.1021/JP301447Z
P407
P577
2012-05-01T00:00:00Z