HmE of (an n-alkane + a butanol isomer)

Jiménez, Juan Pablo Martínez; Valero, José; Gracia, Mariano; Losa, Celso Gutiérrez

doi:10.1016/0021-9614(88)90222-4

Cited by 30 publications

(7 citation statements)

References 3 publications

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“…Molar excess enthalpies h E of the binary mixtures n- butanol + n -alkane ( n -hexane (C 6 ), n -octane (C 8 ), n -dodecane (C 12 ), n -hexadecane (C 16 )) (a,c) and of the binary mixtures n- decanol + n -alkane ( n -hexane (C 6 ), n -octane (C 8 ), n -decane (C 10 )) (b,d) at temperature T = 298.15 K and pressure p = 1.013 bar as a function of the mole fraction x of n- butanol or n- decanol. Symbols represent experimental data ((a,c) refs and ; (b,d) refs and ). Modeling results obtained with the homosegmental approach of PC-SAFT (a,b) are shown as dashed ( k i A = 0) and dotted ( k i A = const., cf.…”

Section: Resultsmentioning

confidence: 99%

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Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures Using PC-SAFT: 2. Associating Compounds

Haarmann

Enders²,

Sadowski

2019

Ind. Eng. Chem. Res.

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Renewable resources such as natural fats and oils are progressively used as feedstock for the chemical industry due to the depletion of fossil resources. Natural fats and oils primarily comprise triglycerides that are the basis for long-chain molecules such as fatty alcohols, fatty amines, and fatty acids. The saturated representatives of these individual families are composed of an identical functional head moiety and an n-alkylic residue that only varies in chain length within a homologous series. In the first part of our work (Haarmann et al., Ind. Eng. Chem. Res. 2019, 58 (7), 2551−2574) a heterosegmental approach of the Perturbed Chain Statistical Associating Fluid Theory was proposed with the focus on polar long-chain molecules. Within the heterosegmental approach, a (saturated and linear) long-chain molecule is modeled as comprising a tail domain described as an n-alkane and a universal head domain. In this work, this heterosegmental approach is extended to associating long-chain molecules with the focus on the homologous series of n-alcohols, n-amines, and n-alkyl carboxylic acids. Applying the heterosegmental approach, vapor pressures and saturated-liquid densities of the pure associating long-chain compounds were predicted in very good agreement with the experimental data. The same holds for the molar excess enthalpies of the binary mixtures long-chain compound + n-alkane, which were modeled for a broad range of chain lengths without using any additional model parameter. Moreover, the mutual solubilities in the binary mixtures long-chain compound + water could be predicted in remarkable agreement with the available experimental data for a broad range of chain lengths of the long-chain compounds.

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Section: Resultsmentioning

confidence: 99%

“… a Experimental data from refs − have been used. A dash indicates that no experimental data were available in the literature. …”

Section: Resultsmentioning

confidence: 99%

Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures Using PC-SAFT: 2. Associating Compounds

Haarmann

Enders²,

Sadowski

2019

Ind. Eng. Chem. Res.

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“…The values of unknown cross parameters X AB (the Flory's contact interaction parameter) was adjusted to H E m or V E m for binary mixture data since H E m data for (2-methyl-1-propanol + hexane, +octane, and +hexadecane) are available in the literature [46,47]. For hexane and decane, they were estimated from extra and interpolations, respectively from the H E m data of octane, dodecane and hexadecane [46]. For (2-methyl-1-propanol + squalane), values of H E m were not available, therefore, V E m results were used to find X AB .…”

Section: Resultsmentioning

confidence: 99%

“…These reactions are also characterized by the volume change (reaction volume) Dv Ã A related to the formation of the linear chains. The values of unknown cross parameters X AB (the Flory's contact interaction parameter) was adjusted to H E m or V E m for binary mixture data since H E m data for (2-methyl-1-propanol + hexane, +octane, and +hexadecane) are available in the literature [46,47]. For hexane and decane, they were estimated from extra and interpolations, respectively from the H E m data of octane, dodecane and hexadecane [46].…”

Section: Resultsmentioning

confidence: 99%

Volumetric, transport, and acoustic properties of binary mixtures of 2-methyl-1-propanol with hexadecane and squalane at T=(298.15, 303.15, and 308.15)K: Experimental results, correlation, and prediction by the ERAS model

Dubey

Sharma

Oswal

2009

The Journal of Chemical Thermodynamics

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“…Following our thermodynamic study of binary mixtures containing an alcohol, (1)(2)(3)(4)(5)(6)(7)(8)(9) we report here vapour pressures at eight temperatures T between 278.15 K and 323.15 K as well as excess enthalpies and volumes at T=298.15 K of (butanenitrile+ethanol or butan-1-ol). Previous measurements of these properties in these mixtures were not found in the literature.…”

Section: Introductionmentioning

confidence: 99%

Vapour pressures at several temperaturesTand excess functions atT= 298.15 K of (butanenitrile + ethanol or butan-1-ol)

Garriga

Putze

Pérez

et al. 1995

The Journal of Chemical Thermodynamics

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Vapour pressures of (butanenitrile + ethanol or butan-1-ol) between the temperatures T=278.15 K and 323.15 K were measured by a static method. Excess enthalpies and volumes were also measured at T=298.15 K. Reduction of the vapour pressures to obtain activity coefficients and excess molar Gibbs free energies was carried out by Barker's method. Azeotropic mixtures with a minimum boiling temperature were observed over the whole temperature range. The experimental results are interpreted in terms of the specific interaction between the hydroxyl hydrogen of the alcohol molecule and the lone electron pair on the nitrogen atom.

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HmE of (an n-alkane + a butanol isomer)

Cited by 30 publications

References 3 publications

Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures Using PC-SAFT: 2. Associating Compounds

Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures Using PC-SAFT: 2. Associating Compounds

Volumetric, transport, and acoustic properties of binary mixtures of 2-methyl-1-propanol with hexadecane and squalane at T=(298.15, 303.15, and 308.15)K: Experimental results, correlation, and prediction by the ERAS model

Vapour pressures at several temperaturesTand excess functions atT= 298.15 K of (butanenitrile + ethanol or butan-1-ol)

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