Vapour–liquid equilibrium for the 2-methylpropane+methanol, +ethanol, +2-propanol, +2-butanol and +2-methyl-2-propanol systems at 313.15K

Ouni, Tuomas; Zaytseva, Anna; Uusi–Kyyny, Petri; Pokki, Juha-Pekka; Aittamaa, Juhani

doi:10.1016/j.fluid.2005.03.016

Cited by 18 publications

(9 citation statements)

References 23 publications

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“…Because the pressure sensor was immersed completely into the thermostated water bath the sensors electronics and electrical wires were protected against water by a plastic hose. The static apparatus measurements proceeded with a stepwise injection of the components into the equilibrium cell of the predefined volume and recording of the system total pressure and temperature, as described in our previous papers. , Composition of the vapor and liquid phases were calculated using the total load of both components, temperature, pressure, total volume of the equilibrium cell, and a preset activity coefficient model with Barker reduction procedure implemented in the in-house VLEFIT software…”

Section: Methodsmentioning

confidence: 99%

Vapor–Liquid Equilibria, Excess Enthalpy, and Density of Aqueous γ-Valerolactone Solutions.

et al. 2016

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Thermodynamic measurements were made for the binary mixture of water + γ-valerolactone (GVL) and for pure GVL to facilitate the development of the technology of lignin removal from lignocellulosic biomass (Fang, W.; Sixta, H. Advanced Biorefinery based on the Fractionation of Biomass in γ -Valerolactone and Water. ChemSusChem 2015, 8, 73−76). The density and vapor pressure of pure GVL as a function of temperature were measured and correlated for a wide range of the temperatures and pressures. Isothermal vapor−liquid equilibrium (VLE) data of the binary mixture of water + GVL were measured at 350.2 K with a static total pressure apparatus. Absence of an azeotrope was confirmed by circulation still measurements with diluted GVL solutions. Excess molar enthalpy (h E ) of the mixture for the whole range of mole fractions including infinite dilution was measured using a SETARAM C80 calorimeter equipped with a flow mixing cell at 322.6 and 303.2 K. The VLE and h E data were used for the optimization of UNIQUAC and NRTL activity coefficient model parameters. The experimental results are compared herein with those predicted by COSMO-RS and UNIFAC-Dortmund models. The water + GVL binary mixture shows positive deviation from Raoult's law.

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Section: Methodsmentioning

confidence: 99%

Vapor–Liquid Equilibria, Excess Enthalpy, and Density of Aqueous γ-Valerolactone Solutions.

et al. 2016

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“…[29][30][31] COSMOtherm was chosen because it is capable of qualitatively, and to some degree, quantitatively capturing intermolecular interactions such as hydrogen bonding and Lewis acid/base interactions. [32][33][34][35] Also, COSMOtherm has been successfully used before in a prior study of the solubility of CO 2 in dimers of CO 2 -philic compounds. 3 ' METHODS AND MATERIALS Materials.…”

Section: ' Introductionmentioning

confidence: 99%

“…The second objective is to determine whether the solubility of CO 2 in each of these solvents can be accurately predicted using the combined quantum and statistical mechanical modeling of the COSMOtherm formalism. , The Conductor-like Screening Model for Real Solvents (COSMO-RS), developed by Klamt et al, , is based on unimolecular quantum chemical calculations of individual species and is widely used to predict thermodynamic properties of fluids. − COSMOtherm was chosen because it is capable of qualitatively, and to some degree, quantitatively capturing intermolecular interactions such as hydrogen bonding and Lewis acid/base interactions. − Also, COSMOtherm has been successfully used before in a prior study of the solubility of CO 2 in dimers of CO 2 -philic compounds …”

Section: Introductionmentioning

confidence: 99%

Critical Assessment of CO₂ Solubility in Volatile Solvents at 298.15 K

et al. 2011

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Fifteen different low molar mass compounds are assessed as CO 2 solvents based on bubble-point loci on the solventrich end (0.6 to 1.0 solvent wt fraction) of the CO 2 -solvent pressure-composition diagram at 298.15 K. Four of the five best solvents (in descending order of solvent strength on a mass fraction CO 2 dissolved basis), acetone, methyl acetate, 1,4-dioxane, and 2-methoxyethyl acetate, are oxygen-rich, low molar mass species possessing one or more oxygen atoms in carbonyl, ether, and/or acetate groups that can interact favorably with CO 2 via Lewis acid/Lewis base interactions. Methanol, a very low molar mass solvent, is comparable to 1,4-dioxane in solvent strength. The remaining solvents, in descending order of solvent strength on a mass basis, include 2-nitropropane, N,N-dimethylacetamide, acetylacetone, 1-nitropropane, iso-octane, 2-(2-butoxyethoxy)ethyl acetate, Nformylmorpholine, propylene carbonate, 2-butoxyethyl acetate, and N-tert-butylformamide. When compared on a molar basis, each of the six best CO 2 solvents, 2-(2-butoxyethoxy)ethyl acetate, methyl acetate, 2-methoxyethyl acetate, 1,4-dioxane, acetone, and acetyl acetone, is rich in CO 2 -philic ether or carbonyl oxygen atoms. Methanol, which possesses a CO 2 -phobic hydroxyl group, is the worst CO 2 solvent. COSMOtherm accurately predicted the relative solvent strengths of eight of the solvents that contain carbonyl, acetate, ether, and carbonate groups. However, COSMOtherm was not able to predict the correct ordering of solvents possessing hydroxyl, nitro-, amide, secondary amine, and tertiary amine groups. This important failure of the COSMOtherm approach for these molecules is apparently due to problems with the COSMO-RS parametrization.

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“…Apparatus. The detailed information of the apparatus can be found in Uusi-Kyyny et al, 6 and the automation of the apparatus is described by Ouni et al 10 In these experiments, the pressure was measured with a pressure transducer (Diqiquartz 2300A-101-CE). The used Pt100 thermometer probes were connected to a thermometer (Systemtek S2541 Thermoanalyzer).…”

Section: Methodsmentioning

confidence: 99%

Vapor−Liquid Equilibrium for 1-Butene + Methanol, + 1-Propanol, + 2-Propanol, + 2-Butanol, and 2-Methyl-2-propanol (TBA) at 364.5 K

et al. 2008

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Vapor-liquid equilibrium (VLE) data for 1-butene + methanol, + 1-propanol, + 2-propanol, + 2-butanol, and + 2-methyl-2-propanol were measured at 364.5 K with a static total pressure apparatus. Measured p, T, z data were reduced to liquid and vapor phase compositions using the Barker method. Azeotropic points were found for the 1-butene + methanol system (x 1 ) 0.877, T ) 364.5 K, p ) 1606.2 kPa). From measured data, the Wilson, NRTL, and UNIQUAC parameters were calculated. The fitted Legendre polynomial was compared with the predictive UNIFAC and UNIFAC-Dortmund methods, and an error analysis was made.

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Vapour–liquid equilibrium for the 2-methylpropane+methanol, +ethanol, +2-propanol, +2-butanol and +2-methyl-2-propanol systems at 313.15K

Cited by 18 publications

References 23 publications

Vapor–Liquid Equilibria, Excess Enthalpy, and Density of Aqueous γ-Valerolactone Solutions.

Vapor–Liquid Equilibria, Excess Enthalpy, and Density of Aqueous γ-Valerolactone Solutions.

Critical Assessment of CO₂ Solubility in Volatile Solvents at 298.15 K

Vapor−Liquid Equilibrium for 1-Butene + Methanol, + 1-Propanol, + 2-Propanol, + 2-Butanol, and 2-Methyl-2-propanol (TBA) at 364.5 K

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Vapour–liquid equilibrium for the 2-methylpropane+methanol, +ethanol, +2-propanol, +2-butanol and +2-methyl-2-propanol systems at 313.15K

Cited by 18 publications

References 23 publications

Vapor–Liquid Equilibria, Excess Enthalpy, and Density of Aqueous γ-Valerolactone Solutions.

Vapor–Liquid Equilibria, Excess Enthalpy, and Density of Aqueous γ-Valerolactone Solutions.

Critical Assessment of CO2 Solubility in Volatile Solvents at 298.15 K

Vapor−Liquid Equilibrium for 1-Butene + Methanol, + 1-Propanol, + 2-Propanol, + 2-Butanol, and 2-Methyl-2-propanol (TBA) at 364.5 K

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Critical Assessment of CO₂ Solubility in Volatile Solvents at 298.15 K