Performance of density functionals for modeling vapor liquid equilibria of CO2 and SO2
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25123
Abstract: Vapor liquid equilibria (VLE) and condensed phase properties of carbon dioxide and sulfur dioxide are calculated using first principles Monte Carlo (FPMC) simulations to assess the performance of several density functionals, notably PBE‐D3, BLYP‐D3, PBE0‐D3,… read more here.
Keywords: vapor liquid; density functionals; liquid equilibria; vapor ... See more keywords
Solid–Liquid and Liquid–Liquid Equilibria for the System Composed of Cesium Chloride, Polyethylene Glycol (PEG1000/4000/6000) and Water at 288.15 and 308.15 K
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Solution Chemistry"
DOI: 10.1007/s10953-020-00985-1
Abstract: The phase equilibria for CsCl in three polyethylene glycols (PEG) with molecular weights of 1000, 4000, 6000 g⋅mol −1 and water (H 2 O) mixed solvent were investigated at 288.15 and 308.15 K. The isothermal dissolution equilibrium… read more here.
Keywords: 288 308; liquid; liquid equilibria; solid liquid ... See more keywords
Prediction of liquid-liquid equilibria of multicomponent fatty systems using the ASOG method
Sign Up to like & getrecommendations! Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2019.112400
Abstract: Abstract Purification steps, as solvent extraction, play an important role in biodiesel and edible oil processing. Their continuous improvement relies on predictive tools for computing liquid-liquid equilibria (LLE), and among these tools, group contribution methods,… read more here.
Keywords: liquid; liquid equilibria; asog method; fatty systems ... See more keywords
Modeling the liquid-liquid equilibria of polar aprotic solvents/alkanes type mixtures using a modified PR EoS and the Huron-Vidal mixing rules
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2019.111380
Abstract: Abstract In this work, it is assessed the capability of a cubic equation of state and the Huron-Vidal-NRTL mixing rules to describe the liquid-liquid equilibria of binary mixtures formed by a polar aprotic solvent and… read more here.
Keywords: liquid liquid; polar aprotic; liquid equilibria; liquid ... See more keywords
Vapor–Liquid Equilibria and Chemical Equilibria in the System (Formaldehyde + Water + Isoprenol)
Sign Up to like & getrecommendations! Published in 2021 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.1c00168
Abstract: Isoprenol (3-methyl-3-buten-1-ol) is an important intermediate in the chemical industry and is used, for example, in the production of various scent and flavor chemicals. Isoprenol is produced from... read more here.
Keywords: equilibria chemical; equilibria system; liquid equilibria; chemical equilibria ... See more keywords
Liquid–Liquid Equilibria for the Quaternary System: Diisopropyl Ether + n-Pentanol + Phenol + Water at 298.15 K
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.0c00354
Abstract: The synergistic extraction of phenol from aqueous solution with diisopropyl ether (DIPE) and n-pentanol was studied at 298.15 K under 101.3 kPa. The liquid–liquid equilibrium (LLE) data of the quat... read more here.
Keywords: liquid; diisopropyl ether; liquid equilibria; quaternary system ... See more keywords
Solid–Liquid Equilibria of a 30 wt % Aqueous Monoethanolamine Solution Containing Urea and Monoethylene Glycol
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.0c00758
Abstract: The solid–liquid phase boundaries on new innovative solvents for the carbon capture and storage (CCS) technology have been measured in this work. The solvents have been formulated with vapor reduct... read more here.
Keywords: equilibria aqueous; aqueous monoethanolamine; solid liquid; liquid ... See more keywords
Isobaric Vapor–Liquid Equilibria for Binary Mixtures of 2-Phenylethanol with 1-Phenylethanol, 2-Phenylpropan-2-ol, Ethylbenzene, and Isopropylbenzene at 101.3 kPa
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.0c01040
Abstract: The isobaric binary vapor–liquid equilibrium (VLE) data for the mixture of 2-phenylethanol (2PEA) with 1-phenylethanol (1PEA), 2-phenylpropan-2-ol (2P2P), ethylbenzene (ETB), and isopropylbenzene (... read more here.
Keywords: vapor; liquid equilibria; phenylpropan; isobaric vapor ... See more keywords
Experimental Determination and Correlation of Liquid–Liquid Equilibria Data for a System of Water + Ethanol + 1-Butyl-3-methylimidazolium Hexafluorophosphate at Different Temperatures
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.6b00829
Abstract: Over the past few years, interest has increased regarding the application of ionic liquids (ILs) as extraction solvents for separating azeotropic mixtures. Following this trend, this work presents the experimental data of liquid–liquid equilibria (LLE)… read more here.
Keywords: system; liquid; water ethanol; ethanol butyl ... See more keywords
Measurement and Prediction of Vapor–Liquid(−Liquid) Equilibria in Ternary Systems Containing Water, an Organic Component, and Cyclohexanol
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.7b00100
Abstract: The isothermal vapor–liquid(−liquid) equilibria for the water + cyclohexane + cyclohexanol, water + toluene + cyclohexanol, and water + cyclohexylamine + cyclohexanol ternary systems are presented. The experimental data were determined by the dynamic method… read more here.
Keywords: vapor liquid; liquid; water; liquid equilibria ... See more keywords
Experimental Determination and Correlation of Liquid–Liquid Equilibria for Water + Cyclohexanone + Solvents (Toluene or p-Xylene) Ternary Systems at 303.15 and 323.15 K under 101.3 kPa
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.7b00266
Abstract: Liquid–liquid equilibria (LLE) data for the water + cyclohexanone + solvents (toluene or p-xylene) ternary systems were reported at 303.15 and 323.15 K under 101.3 kPa. The distribution coefficient (D) and separation factors (S) were… read more here.
Keywords: water cyclohexanone; liquid; liquid equilibria; correlation ... See more keywords