Sigma-profile database for using COSMO-based thermodynamic methods
E Mullins, R Oldland, YA Liu, S Wang… - Industrial & …, 2006 - ACS Publications
Thermodynamic methods based on conductor-like screening models (COSMO) originated
from the use of solvation thermodynamics and computational quantum mechanics. These …
from the use of solvation thermodynamics and computational quantum mechanics. These …
Prediction of phase equilibria, density, speed of sound and viscosity of 2-alkoxyethanols mixtures: A comparison study between SAFT type EoSs and a modified PR …
JA Velásquez, JP Hernández, LA Forero… - Fluid Phase Equilibria, 2023 - Elsevier
In this work, a modified Peng-Robinson equation of state with the Huron-Vidal-NRTL mixing
rule was used to describe complex polar phase equilibria, density, speed of sound and …
rule was used to describe complex polar phase equilibria, density, speed of sound and …
Mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents
LM Grubbs, M Saifullah, E Nohelli, S Ye, SS Achi… - Fluid phase …, 2010 - Elsevier
Gas-to-liquid and water-to-liquid partition coefficients have been compiled for more than
2800 different solute–solvent combinations. Solutes considered include acyclic …
2800 different solute–solvent combinations. Solutes considered include acyclic …
Thermodynamics of mixtures containing alkoxyethanols. Part XV. DISQUAC characterization of systems of alkoxyethanols with n-alkanes or cyclohexane
Binary mixtures of alkoxyethanols, CH3–(CH2) n–O–(CH2CH2O) mOH, and n-alkanes or
cyclohexane are characterized in terms of DISQUAC. The corresponding dispersive (DIS) …
cyclohexane are characterized in terms of DISQUAC. The corresponding dispersive (DIS) …
Vapor pressures and thermophysical properties of dimethoxymethane, 1, 2-dimethoxyethane, 2-methoxyethanol, and 2-ethoxyethanol: Data reconciliation and …
V Pokorny, V Stejfa, J Pavlicek, M Klajmon… - Journal of Chemical & …, 2021 - ACS Publications
As a continuation of our effort to establish reliable thermodynamic data for important
industrial solvents, dimethoxymethane (CAS RN: 109-87-5), 1, 2-dimethoxyethane (CAS …
industrial solvents, dimethoxymethane (CAS RN: 109-87-5), 1, 2-dimethoxyethane (CAS …
Phase equilibrium modeling of mixtures containing conformationally flexible molecules with the COSMO-SAC model
The multi-conformational structures sampling of a molecule, considered as conformational
information, is found to be crucial for applying COSMO-SAC to systems containing …
information, is found to be crucial for applying COSMO-SAC to systems containing …
Prediction of vapor-liquid and liquid-liquid equilibria at high pressures of 2-alkoxyethanol mixtures using PC-SAFT EoS
D NguyenHuynh, TT Nguyen, TTX Nguyen - Fluid Phase Equilibria, 2017 - Elsevier
The PC-SAFT equation of state (EoS) was examined for the prediction of liquid–liquid
equilibria (LLE) at high pressure on the basis of LLE data at 1 bar. New parameters set for 2 …
equilibria (LLE) at high pressure on the basis of LLE data at 1 bar. New parameters set for 2 …
Thermodynamics of solvation in propylene glycol and methyl cellosolve
IA Sedov, MA Stolov, BN Solomonov - The Journal of Chemical …, 2014 - Elsevier
Limiting activity coefficients of low-polar substances: aliphatic and aromatic hydrocarbons,
including alkanes, cycloalkanes, alkylbenzenes, and halobenzenes in two solvents …
including alkanes, cycloalkanes, alkylbenzenes, and halobenzenes in two solvents …
Thermodynamics of mixtures containing alkoxyethanols. XXVIII: Liquid–liquid equilibria for 2-phenoxyethanol+ selected alkanes
The coexistence curves of the liquid–liquid equilibria (LLE) for systems of 2-phenoxyethanol
(2PhEE) with heptane, octane, cyclohexane, methylcyclohexane or ethylcyclohexane have …
(2PhEE) with heptane, octane, cyclohexane, methylcyclohexane or ethylcyclohexane have …
The Riedel vapor pressure correlation and multi-property optimization
JW Hogge, NF Giles, TA Knotts, RL Rowley… - Fluid Phase …, 2016 - Elsevier
The Riedel vapor pressure correlation is a useful model that has been employed for
decades. The shape of the temperature dependent correlation is a strong function of the …
decades. The shape of the temperature dependent correlation is a strong function of the …