Add to ORKGGradient theory (GT), a form of density functional theory (DFT), was applied to water methanol, and ethanol using the cubic perturbed hard body (CPHB) equation of state (EOS). Compared to the standard form of classical nucleation theory (CNT), the GT results for water showed an improved temperature dependence, but the supersaturation dependence was slightly poorer. GT and several forms of CNT were also found to be in good agreement with a single high T molecular dynamics rate for TIP4P water. The rates predicted by GT for methanol and ethanol were improved by several orders of magnitude compared to CNT
The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) eq...
The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) eq...
A revised classical theory of binary nucleation is used to calculate conditions for the onset of nuc...
Gradient theory (GT), a form of density functional theory (DFT), was applied to water, methanol, and...
The gradient theory (GT) is the simplest theory giving a physically sound picture of fluid-fluid pha...
The excess Helmholtz free-energy functional for water and heavy water is formulated in terms of a lo...
Several versions of classical binary nucleation theory (CBNT) are compared with density functional t...
We have studied the temperature dependence of gas-to-liquid nucleation in Yukawa fluids with gradien...
Classical and nonclassical calculations of nucleation rates are presented for methanol, an associati...
The study of nucleation in fluid mixtures exposes challenges beyond those of pure systems. A strikin...
The study presents some preliminary results of the density gradient theory (GT) combined with two di...
Predictive modelling and quantitative understanding of nucleation is essential for predicting phase ...
Density functional theory (DFT) with a dispersionless generalized gradient approximation (GGA) needs...
The statistical associating fluid theory (saft) in conjunction with the weeks-chandler-anderson (wca...
The statistical associating fluid theory (SAFT) in conjunction with the Weeks-Chandler-Anderson (WCA...
The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) eq...
The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) eq...
A revised classical theory of binary nucleation is used to calculate conditions for the onset of nuc...
Gradient theory (GT), a form of density functional theory (DFT), was applied to water, methanol, and...
The gradient theory (GT) is the simplest theory giving a physically sound picture of fluid-fluid pha...
The excess Helmholtz free-energy functional for water and heavy water is formulated in terms of a lo...
Several versions of classical binary nucleation theory (CBNT) are compared with density functional t...
We have studied the temperature dependence of gas-to-liquid nucleation in Yukawa fluids with gradien...
Classical and nonclassical calculations of nucleation rates are presented for methanol, an associati...
The study of nucleation in fluid mixtures exposes challenges beyond those of pure systems. A strikin...
The study presents some preliminary results of the density gradient theory (GT) combined with two di...
Predictive modelling and quantitative understanding of nucleation is essential for predicting phase ...
Density functional theory (DFT) with a dispersionless generalized gradient approximation (GGA) needs...
The statistical associating fluid theory (saft) in conjunction with the weeks-chandler-anderson (wca...
The statistical associating fluid theory (SAFT) in conjunction with the Weeks-Chandler-Anderson (WCA...
The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) eq...
The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) eq...
A revised classical theory of binary nucleation is used to calculate conditions for the onset of nuc...