Keywords: Liquid-liquid equilibria; Toluene; Ethylene glycol; Phenols; COSMO-SAC;
مقالات ISI (ترجمه نشده)
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Keywords: Eco-friendly processing oil; Co-solvent; Extraction; PCA; COSMO-SAC; Thermodynamic;
Keywords: Ionic liquids; Aromatic-aliphatics separation; COSMO-SAC; Extractive distillation; EDC; Aspen Plus;
Keywords: Peng–Robinson equation of state; COSMO-SAC; Solubility; Solvation free energy; A priori prediction
Keywords: Methyl caprate; Methyl laurate; Vapor-liquid equilibrium; NRTL; UNIFAC; COSMO-SAC;
Ionic liquid-based CO2 capture in power plants for low carbon emissions
Keywords: IL; ionic liquid; [bmim][Tf2N]; 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl); MEA; monoethanol-amine; ESR; energy saving ratio; PCS; primary cost saving ratio; CCS; carbon capture and storage; IPCC; Intergovernmental Panel on Climate Change;
Liquid-liquid equilibrium for methyl butyl ketoneâ¯+â¯o-, m-, p-cresolâ¯+â¯water ternary systems and COSMO-SAC predictions
Keywords: Liquid-liquid equilibrium; MBK; Cresol; Thermodynamic models; COSMO-SAC;
Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ionic liquid - hydroxyacetone - water mixtures
Keywords: Hydroxyacetone; Ionic liquid; Organic solvent; LLE; COSMO-SAC;
A combination of multi-fluid mixture models with COSMO-SAC
Keywords: Multi-fluid mixture model; Theoretically based departure function; Vapor-liquid equilibria; COSMO-SAC; Reference equations of state; Excess Gibbs energy; Excess Helmholtz energy;
Prediction of solid-liquid-gas equilibrium for binary mixtures of carbon dioxide + organic compounds from approaches based on the COSMO-SAC model
Keywords: Solid-liquid-gas equilibrium; COSMO-SAC; Peng-Robinson equation of state; Modified Huron-Vidal mixing rule; Wong-Sandler mixing rule; Carbon dioxide;
Liquid-liquid extraction, COSMO-SAC predictions and process flow sheeting of 1-butanol enhancement using mesitylene and oleyl alcohol
Keywords: Mesitylene; Oleyl alcohol; NRTL; UNIQUAC; COSMO-SAC; 1-butanol; Aspen Plus;
From Wilson to F-SAC: A comparative analysis of correlative and predictive activity coefficient models to determine VLE and IDAC of binary systems
Keywords: Vapor-liquid equilibria; COSMO-SAC; F-SAC; Binary systems; Infinite-Dilution Activity Coefficient; Thermodynamic models;
Measurement, correlation and COSMO-SAC prediction of liquid-liquid equilibrium for the ternary systems, mesityl oxide + o-, m-, p-cresol + water, at 333.2K and 353.2 K
Keywords: Liquid-liquid equilibrium; Mesityl oxide; Cresol; NRTL; UNIQUAC; COSMO-SAC;
Computer-aided ionic liquid design for separation processes based on group contribution method and COSMO-SAC model
Keywords: Computer-aided ionic liquid design; COSMO-SAC; Group contribution; MINLP; Separation process; CO2 absorption;
Screening solvents to extract phenol from aqueous solutions by the COSMO-SAC model and extraction process simulation
Keywords: COSMO-SAC; Phenol; Solvent extraction; Solvent screening; Liquid-liquid equilibrium; Process simulation;
Reactive insights into the selective dehydrogenation of ethylene diamine bisborane facilitated by phosphonium based Ionic Liquids
Keywords: Ionic Liquid; COSMO-SAC; EDAB; Phosphonium cation;
Isobaric vapor-liquid equilibrium for binary system of methyl caprylate + methyl caprate at 2, 6 and 10 kPa
Keywords: Methyl caprylate; Methyl caprate; Vapor-liquid equilibrium; NRTL; UNIFAC; COSMO-SAC;
Evaluation of COSMO-SAC method for the prediction of the alcohol-water partition coefficients of the compounds encountered in aqueous phase fructose dehydration
Keywords: LLE extraction; COSMO-SAC; Phase diagram; HMF; Fructose dehydration; Biomass;
Enhancement of bio-oil derived chemicals in aqueous phase using ionic liquids: Experimental and COSMO-SAC predictions using a modified hydrogen bonding expression
Keywords: Acetic acid; Furfural; Ionic liquid; LLE; COSMO-SAC
Screening of ionic liquids for CO2 capture using the COSMO-SAC model
Keywords: Ionic liquid; Carbon dioxide; Henry׳s law constant; Solubility; Cosmo-SAC;
A priori prediction of the octanol–water partition coefficient (Kow) of ionic liquids
Keywords: Ionic liquid; Octanol–water partition coefficient; Infinite dilution activity coefficient; COSMO-SAC
Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior
Keywords: Phase equilibria; Infinite dilution activity coefficient; Prediction; Dispersive interaction; COSMO-SAC
Quaternary (liquid + liquid) equilibria for systems of imidazolium based ionic liquid + thiophene + pyridine + cyclohexane at 298.15 K: Experiments and quantum chemical predictions
Keywords: [EMIM]; 1-ethyl 3-methylimidazolium cation; [OAc]; acetate anion; [EtSO4]; ethylsulfate anion; [MeSO3]; methylsulfonate anion; Simultaneous extraction; Ionic liquids; COSMO-SAC; NRTL & UNIQUAC model;
Density, refraction index and vapor-liquid equilibria of N-methyl-2-hydroxyethylammonium butyrate plus (methyl acetate or ethyl acetate or propyl acetate) at several temperatures
Keywords: Ionic liquid; Binary mixtures; Density; Refraction index; Vapor-liquid equilibrium; COSMO-SAC;
Prediction of the flash points of multicomponent systems: Applications to solvent blends, gasoline, diesel, biodiesels and jet fuels
Keywords: Flash points; Flammability; Process safety; Fuels; Combustion; COSMO-SAC; COSMO-RS; Vapor-liquid equilibrium;
Comparison between three predictive methods for the calculation of polymer solubility parameters
Keywords: Molecular dynamics; COSMO-SAC; Group contribution; Polymer; Bisphenol-A polycarbonate; Ethylene-co-vinyl acetate; Polyvinyl alcohol
Prediction of phase behaviors of ionic liquids over a wide range of conditions
Keywords: Ionic liquid; Infinite dilution activity coefficient; Vapor–liquid equilibria; Osmotic coefficient; COSMO-SAC
Thermodynamic prediction of vapor–liquid equilibrium of supercritical CO2 or CHF3 + ionic liquids
Keywords: Artificial neural network; COSMO-SAC; Predictive model; Henry's constant; Infinite dilution activity coefficient; PC-SAFT; Phase equilibria; Supercritical fluids
Effect of mixing rule boundary conditions on high pressure (liquid + liquid) equilibrium prediction
Keywords: (Liquid + liquid) equilibria; COSMO-SAC; MHV1 mixing rule; WS mixing rule; PR equation of state
Isobaric vapor–liquid equilibrium for binary systems containing benzothiophene
Keywords: Vapor–liquid equilibrium; Benzothiophene; Dodecane; 1-Dodecene; 1-Octanol; COSMO-SAC
Isobaric (vapor + liquid) equilibria of 1-ethyl-3-methylimidazolium ethylsulfate plus (propionaldehyde or valeraldehyde): Experimental data and prediction
Keywords: (Vapor + liquid) equilibria; Protic ionic liquid; COSMO-SAC; Molecular interactions
Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC model
Keywords: COSMO-SAC; Liquid–liquid equilibria; Prediction; Solvation
Phase equilibria on binary systems containing diethyl sulfide
Keywords: Vapor–liquid equilibrium; Diethyl sulfide; Ethanol; 1-Propanol; Propyl acetate; COSMO-SAC
A priori predictions of critical loci from the combined use of PRSV equation of state and the COSMO-SAC model through the MHV1 mixing rule
Keywords: Critical phenomena; Equations of state; Mixing rules; Excess free energy; COSMO-SAC
An evaluation of thermodynamic models for the prediction of drug and drug-like molecule solubility in organic solvents
Keywords: Solubility prediction; Crystallization; Thermodynamics; UNIFAC; COSMO-SAC; NRTL-SAC; Activity coefficient
Vapor–liquid equilibrium for binary system of tetrahydrothiophene + 2,2,4-trimethylpentane and tetrahydrothiophene + 2,4,4-trimethyl-1-pentene at 358.15 and 368.15 K
Keywords: Vapor pressure; Vapor–liquid equilibria; Tetrahydrothiophene; 2,2,4-Trimethylpentane; 2,4,4-Trimethyl-1-pentene; COSMO-SAC
Vapor–liquid equilibrium for the binary systems tetrahydrothiophene + toluene and tetrahydrothiophene + o-xylene at 368.15 K and 383.15 K
Keywords: Vapor pressure; Vapor–liquid equilibria; Tetrahydrothiophene; Toluene; o-Xylene; COSMO-SAC
Phase equilibria for systems containing dimethyl disulfide and diethyl disulfide with hydrocarbons at 368.15 K
Keywords: Vapor–liquid equilibrium; Dimethyl disulfide; Diethyl disulfide; Toluene; 2,2,4-Trimethylpentane; 2,4,4-Trimethyl-1-pentene; UNIFAC; COSMO-SAC
Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Keywords: Vapor–liquid equilibrium; 1-Butanethiol; 3-Methylthiophene; Methylcyclopentane; 2,2,4-Trimethylpentane; Toluene; o-Xylene; 1,2,4-Trimethylbenzene; UNIFAC; COSMO-SAC
Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions
Keywords: COSMO-SAC; Vapor–liquid equilibria; Liquid–liquid equilibria; Prediction; Solvation
Vapour–liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
Keywords: Vapour–liquid equilibrium; UNIFAC; COSMO-SAC; Diethyl sulphide; C4-hydrocarbon
Selective crystallisation of a chiral compound-forming system—Solvent screening, SLE determination and process design
Keywords: Chiral; Enantiomer; Crystallisation; Separation; COSMO-SAC; NRTL; Eutectic composition
Prediction of 1-octanol–water partition coefficient and infinite dilution activity coefficient in water from the PR + COSMOSAC model
Keywords: Peng–Robinson equations of state; Solvation free energy; Octanol–water partition coefficient; Infinite dilution activity coefficient; COSMO-SAC
Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculations
Keywords: GAMESS; COSMO; COSMO-SAC; Group-contribution methods; Phase equilibrium
Prediction of Pharmaceutical Solubility Via NRTL-SAC and COSMO-SAC
Keywords: solubility; crystallization; pharmaceuticals; NRTL-SAC; COSMO-SAC;
Vapour–liquid equilibria of aroma compounds in hydroalcoholic solutions: Measurements with a recirculation method and modelling with the NRTL and COSMO-SAC approaches
Keywords: Vapour–liquid equilibria; NRTL; COSMO-SAC; Henry's constant; Aroma compounds; Activity coefficients at finite dilution
Vapor-liquid equilibrium prediction at high pressures using activity coefficients at infinite dilution from COSMO-type methods
Keywords: Method of calculation; Vapor-liquid equilibria; Equation of state; Activity coefficient; COSMO-RS model; COSMO-SAC model; COSMO-RS; conductor-like screening model for real solvents; COSMO-SAC; segment activity coefficient model; GCS; group contribution