Modeling of thermodynamic properties of an oxygenate+aromatic hydrocarbon: Excess molar enthalpy

Gahlyan, Suman; Rani, Manju; Maken, Sanjeev; Kwon, Hweeung; Tak, Kyungjae; Moon, Il

doi:10.1016/j.jiec.2014.08.032

Cited by 32 publications

(14 citation statements)

References 46 publications

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“…These considerations led us to carry out a systemic study of the thermodynamics of binary mixtures of alkanol with alkane or aromatic hydrocarbon. In continuation of earlier work, this paper reports the excess molar enthalpy (Hm E ) of 2-propanol + aromatic hydrocarbons mixtures at 303.15 K [13][14][15].…”

mentioning

confidence: 78%

“…Cyclohexane, n-hexane and isomer of propanol (Merck) were purified by the standard procedures [16,17]. The purities of purified sample were checked by measuring their densities and refractive indices using specially designed densimeter and Abbe refractometer (OSAW, India) in the manner described earlier [13][14][15]. The accuracy in the measurement of density and refractive indices were ± 0.05 kg m -3 and ± 0.001 unit.…”

Section: Methodsmentioning

confidence: 99%

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Measurements and Modeling of Excess Molar Enthalpy of Binary Mixtures of Oxygenate and Hydrocarbons

Gahlyan¹,

Verma²,

Rani³

et al. 2018

Asian J. Chem.

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Due to price hikes, rapid depletion of fossil fuels and strict emission regulation, considerable concern has been raised over diesel-powered vehicles using alternative fuels. Bio-fuels for internal combustion engines as oxygenated compounds are also becoming important because of diminishing petroleum reserves and increasing air pollution [1-5]. The oxygenated compounds used worldwide as gasoline additives to reduce pollutants from vehicle exhaust gases [4]. Oxygenates are the compounds that contain oxygen such as alcohol, ethers, glycol ethers, methylal and carbonates or biomass products such as esters of vegetable oils [6]. Oxygenates have many advantages as they are octane enhancers, have significant anti-knock properties important for unleaded fuel, can be produced from renewable agricultural and raw materials instead of fossil sources and they reduce carbon monoxide pollution from vehicle exhaust [7-9]. Thus, the thermo-physical properties of oxygenate additive with aromatic hydrocarbons as well as with aliphatic hydrocarbon would be of great significance in process engineering design and in formulating motor gasoline and diesel [10]. As the excess properties are measure of departure from ideality, excess enthalpy of mixtures having oxygenate would also be of

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mentioning

confidence: 78%

Section: Methodsmentioning

confidence: 99%

Measurements and Modeling of Excess Molar Enthalpy of Binary Mixtures of Oxygenate and Hydrocarbons

Gahlyan¹,

Verma²,

Rani³

et al. 2018

Asian J. Chem.

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“…In sight of this agreement, it is fair to suppose that the excess molar enthalpy for the mixture of p-cymene with propan-1-ol would be positive because it is also positive for the mixtures of propan-1-ol with benzene [5,8,10,12,13], or toluene [8,10,12,13], or the three isomers of xylene [7,8,10,11,13,14] as was also supposed on a very similar basis for the mixture of p-cymene with ethanol [2]. Then, for all of the mixtures of benzene or alkylbenzene with ethanol or propan-1-ol the prevailing thermal effect in the mixing process is the breaking of interactions in the pure compounds (especially of hydrogen bonds in the alkanol), a breaking which is not compensated by the π-OH interactions between aromatic compounds and alkanol.…”

Section: Tablementioning

confidence: 99%

Thermophysical and volumetric study of mixtures {p-cymene + propan-1-ol} at several temperatures and atmospheric pressure. Modeling with COSMO-RS

Martínez-López

Pardo

Liu

et al. 2018

The Journal of Chemical Thermodynamics

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Experimental isobaric molar heat capacities at atmospheric pressure have been determined for the mixture {p-cymene + propan-1-ol} every 10 K in the temperature interval (298.8-328.5) K and over the entire composition range with a Calvet type calorimeter. Densities, necessary for calculating heat capacities, have been also measured in similar conditions. Excess molar volumes have been calculated from densities. They are positive at (318.15 and 328.15) K and sigmoidal at (298.15 and 308.15) K with negative values in the zone very rich in propan-1-ol. Excess molar heat capacities have been calculated from the molar heat capacities and show positive values. Both excess molar properties increase as the temperature rises at a given molar fraction. Excess properties are discussed in terms of intermolecular interactions. The solvation model COSMO-RS has been applied to predict the excess molar heat capacities, being the quantitative predictions rather poor.

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“…Thermodynamic and transport properties of liquid mixtures have been extensively used [1][2][3] to study the departure of a real liquid mixture from ideality. A departure from linearity in the velocity versus composition behavior in liquid mixtures is taken as an indication of the existence of interaction between the different species [4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Physico-chemical Studies of Isomeric Butanols in Aniline with m-Xylene

Palaniappan

Nithiyanantham²,

Murugesan

2020

Chemistry Africa

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The values of sound velocity, density and viscosity have been measured at 303 K in the ternary systems of aniline + m-xylene + n, sec, tert and iso-butanols. From these data, acoustical parameters such as molar volume, adiabatic compressibility, free length, free volume and internal pressure have been estimated using the standard relations. The results are interpreted in terms of molecular interaction between the components of the mixtures. The presence of weak dipoleinduced dipole interactions of larger magnitude is confirmed in the ternary systems. Of all the isomeric butanols, 1-ol, and especially 2-ol are found to be good structure makers that make the ternary complexes. In addition the possible interactions between the components are further confirmed by their excess values.

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Modeling of thermodynamic properties of an oxygenate+aromatic hydrocarbon: Excess molar enthalpy

Cited by 32 publications

References 46 publications

Measurements and Modeling of Excess Molar Enthalpy of Binary Mixtures of Oxygenate and Hydrocarbons

Measurements and Modeling of Excess Molar Enthalpy of Binary Mixtures of Oxygenate and Hydrocarbons

Thermophysical and volumetric study of mixtures {p-cymene + propan-1-ol} at several temperatures and atmospheric pressure. Modeling with COSMO-RS

Physico-chemical Studies of Isomeric Butanols in Aniline with m-Xylene

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Modeling of thermodynamic properties of an oxygenate+aromatic hydrocarbon: Excess molar enthalpy

Cited by 32 publications

References 46 publications

Measurements and Modeling of Excess Molar Enthalpy of Binary Mixtures of Oxygenate and Hydrocarbons

Measurements and Modeling of Excess Molar Enthalpy of Binary Mixtures of Oxygenate and Hydrocarbons

Thermophysical and volumetric study of mixtures {p-cymene + propan-1-ol} at several temperatures and atmospheric pressure. Modeling with COSMO-RS

Physico-chemical Studies of Isomeric Butanols in Aniline with m-Xylene

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Product

Resources

About

Thermophysical and volumetric study of mixtures {p-cymene + propan-1-ol} at several temperatures and atmospheric pressure. Modeling with COSMO-RS