Water + 1-alkanol systems: Modeling the phase, interface and viscosity properties
暂无分享,去创建一个
Lourdes F. Vega | Oriol Vilaseca | Fèlix Llovell | F. Llovell | L. Vega | O. Vilaseca | N. Jung | N. Jung
[1] E. Voutsas,et al. Thermodynamic modeling of the vapor–liquid equilibrium of the water/ethanol/CO2 system , 2006 .
[2] F. Llovell,et al. Free-volume theory coupled with soft-SAFT for viscosity calculations: comparison with molecular simulation and experimental data. , 2013, The journal of physical chemistry. B.
[3] K. E. Starling,et al. Generalized multiparameter correlation for nonpolar and polar fluid transport properties , 1988 .
[4] J. E. Hilliard,et al. Free Energy of a Nonuniform System. I. Interfacial Free Energy , 1958 .
[5] K. Kojima,et al. Isothermal Vapor-Liquid Equilibria for Methanol + Ethanol + Water, Methanol + Water, and Ethanol + Water , 1995 .
[6] A. Pádua,et al. Density and Viscosity of Mixtures of n-Hexane and 1-Hexanol from 303 to 423 K up to 50 MPa , 2002 .
[7] M. Wertheim,et al. Fluids with highly directional attractive forces. II. Thermodynamic perturbation theory and integral equations , 1984 .
[8] M. Michelsen,et al. Modeling phase equilibria of alkanols with the simplified PC-SAFT equation of state and generalized pure compound parameters , 2007 .
[9] George Jackson,et al. New reference equation of state for associating liquids , 1990 .
[10] R. Lugo,et al. Modeling Liquid–Liquid and Liquid–Vapor Equilibria of Binary Systems Containing Water with an Alkane, an Aromatic Hydrocarbon, an Alcohol or a Gas (Methane, Ethane, CO2 or H2S), Using Group Contribution Polar Perturbed-Chain Statistical Associating Fluid Theory , 2011 .
[11] R. A. Aziz,et al. Empirical Equations to Calculate 16 of the Transport Collision Integrals Ω(l, s)* for the Lennard‐Jones (12–6) Potential , 1972 .
[12] A. Galindo,et al. High-temperature vapour–liquid equilibrium for the water–alcohol systems and modeling with SAFT-VR: 1. Water–ethanol , 2013 .
[13] Isaac C. Sanchez,et al. Interfacial tension theory of low and high molecular weight liquid mixtures , 1981 .
[14] T. Makita,et al. Viscosities of six 1-Alkanols at temperatures in the range 298–348 K and pressures up to 200 MPa , 1989 .
[15] P. Englezos,et al. Prediction of vapor–liquid equilibrium in water–alcohol–hydrocarbon systems with the dipolar perturbed-chain SAFT equation of state , 2008 .
[16] Yoshiaki Tanaka,et al. Viscosity of (water + alcohol) mixtures under high pressure , 1987 .
[17] C. Schwarz,et al. New association scheme for 1-alcohols in alcohol/water mixtures with sPC-SAFT: The 2C association scheme , 2011 .
[18] J. A. Lopes-da-Silva,et al. Surface tension of binary mixtures of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids: experimental measurements and soft-SAFT modeling. , 2012, The journal of physical chemistry. B.
[19] M. Michelsen,et al. Ten Years with the CPA (Cubic-Plus-Association) Equation of State. Part 2. Cross-Associating and Multicomponent Systems , 2006 .
[20] Fèlix Llovell,et al. Global fluid phase equilibria and critical phenomena of selected mixtures using the crossover soft-SAFT equation. , 2006, The journal of physical chemistry. B.
[21] S. Ellis,et al. A New Equilibrium Still for the Study of Partially Miscible Systems , 1960 .
[22] Arthur K. Doolittle,et al. Studies in Newtonian Flow. II. The Dependence of the Viscosity of Liquids on Free‐Space , 1951 .
[23] John A. Zollweg,et al. The Lennard-Jones equation of state revisited , 1993 .
[24] F. Llovell,et al. Modeling complex associating mixtures with [Cn-mim][Tf2N] ionic liquids: predictions from the soft-SAFT equation. , 2011, The journal of physical chemistry. B.
[25] M. Góral,et al. Recommended Liquid-Liquid Equilibrium Data. Part 4. 1-Alkanol-Water Systems , 2006 .
[26] George Jackson,et al. SAFT: Equation-of-state solution model for associating fluids , 1989 .
[27] A. Allal,et al. Free-volume viscosity model for fluids in the dense and gaseous states. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.
[28] Claire S. Adjiman,et al. Modeling the Fluid Phase Behavior of Carbon Dioxide in Aqueous Solutions of Monoethanolamine Using Transferable Parameters with the SAFT-VR Approach , 2010 .
[29] A. Galindo,et al. High-temperature vapour–liquid equilibrium for the (water + alcohol) systems and modelling with SAFT-VR: 2. Water-1-propanol , 2013 .
[30] F. Llovell,et al. Capturing the solubility minima of n-alkanes in water by soft-SAFT. , 2009, The journal of physical chemistry. B.
[31] Lourdes F. Vega,et al. Thermodynamic Modeling of Imidazolium-Based Ionic Liquids with the [PF6]− Anion for Separation Purposes , 2012 .
[32] G. Kontogeorgis,et al. Multicomponent phase equilibrium calculations for water–methanol–alkane mixtures , 1999 .
[33] M. Wertheim,et al. Fluids with highly directional attractive forces. IV. Equilibrium polymerization , 1986 .
[34] Sugata P. Tan,et al. Generalized Procedure for Estimating the Fractions of Nonbonded Associating Molecules and Their Derivatives in Thermodynamic Perturbation Theory , 2004 .
[35] M. Wertheim,et al. Fluids with highly directional attractive forces. III. Multiple attraction sites , 1986 .
[36] Lourdes F. Vega,et al. THERMODYNAMIC BEHAVIOUR OF HOMONUCLEAR AND HETERONUCLEAR LENNARD-JONES CHAINS WITH ASSOCIATION SITES FROM SIMULATION AND THEORY , 1997 .
[37] S. Sandler,et al. Using molecular orbital calculations to describe the phase behavior of cross-associating mixtures , 1998 .
[38] Marc J. Assael,et al. Measurements of the viscosity of alcohols in the temperature range 290–340 K at pressures up to 30 MPa , 1994 .
[39] F. Llovell,et al. Phase equilibria, surface tensions and heat capacities of hydrofluorocarbons and their mixtures including the critical region , 2010 .
[40] E. Voutsas,et al. Prediction of phase equilibria in water/alcohol/alkane systems , 1999 .
[41] Molecular modeling of interfacial properties of industrial relevant fluids , 2014 .
[42] S. Sandler,et al. A Simplified SAFT Equation of State for Associating Compounds and Mixtures , 1995 .
[43] Lourdes F. Vega,et al. Direct calculation of interfacial properties of fluids close to the critical region by a molecular-b , 2011 .
[44] I. Marrucho,et al. Thermodynamic characterization of pure perfluoroalkanes, including interfacial and second order derivative properties, using the crossover soft-SAFT EoS , 2009 .
[45] C. Wilke. A Viscosity Equation for Gas Mixtures , 1950 .
[46] Fèlix Llovell,et al. Prediction of thermodynamic derivative properties of pure fluids through the Soft-SAFT equation of state. , 2006, The journal of physical chemistry. B.
[47] F. García-Sánchez,et al. An equation-of-state-based viscosity model for non-ideal liquid mixtures☆ , 2003 .
[48] A. Allal,et al. A New Free Volume Model for Dynamic Viscosity and Density of Dense Fluids Versus Pressure and Temperature , 2001 .
[49] M. Wertheim,et al. Fluids with highly directional attractive forces. I. Statistical thermodynamics , 1984 .
[50] P. Englezos,et al. Vapor–liquid equilibrium of systems containing alcohols, water, carbon dioxide and hydrocarbons using SAFT , 2004 .
[51] 健二 越智,et al. 2液相をつくる水~n-アミルアルコール, 水~イソアミルアルコール系の定圧気液平衡 , 1984 .
[52] Estrella Alvarez,et al. Surface Tension of Alcohol Water + Water from 20 to 50 .degree.C , 1995 .
[53] L. Scriven,et al. Stress and Structure in Fluid Interfaces , 2007 .
[54] Stanley H. Huang,et al. Equation of state for small, large, polydisperse, and associating molecules , 1990 .
[56] F. Llovell,et al. Transport properties of mixtures by the soft-SAFT + free-volume theory: application to mixtures of n-alkanes and hydrofluorocarbons. , 2013, The journal of physical chemistry. B.
[57] C. M. Hull,et al. Vapor-Liquid Equilibria and Boiling-Point Composition Relations for Systems n-Butanol–Water and Isobutanol–Water1,2 , 1931 .
[58] S. Enders,et al. Interfacial properties of water + alcohol mixtures , 2008 .
[59] J. Coutinho,et al. Modeling the [NTf2] pyridinium ionic liquids family and their mixtures with the soft statistical associating fluid theory equation of state. , 2012, The journal of physical chemistry. B.
[60] Andrew J. Haslam,et al. Developing optimal Wertheim-like models of water for use in Statistical Associating Fluid Theory (SAFT) and related approaches , 2006 .
[61] Lourdes F. Vega,et al. Prediction of Binary and Ternary Diagrams Using the Statistical Associating Fluid Theory (SAFT) Equation of State , 1998 .