Isobaric Vapor–Liquid Equilibrium for Dimethylsulfoxide with Chloroethanes and Chloroethenes

Radhamma, M.; Hsieh, Cheng-Ting; Venkatesu, P.; Rao, M. V.; Lee, Ming‐Jer; Lin, Ho-mu

doi:10.1021/je700408x

Cited by 15 publications

(7 citation statements)

References 23 publications

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“…The carbonyl group is polar since oxygen is more electronegative than carbon and forms a partially charged dipole. The present study is a continuation of our earlier research [8][9][10][11][12] on thermodynamic properties of binary liquid mixtures which contains high polar liquids with other solvents. In order to characterize the type and magnitude of the molecular interactions between NMP with ketones, we present here the V E and ultrasonic studies of (NMP) with methyl ethyl ketone (MEK), diethylketone (DEK), methyl propyl ketone (MPK), methyl isobutyl ketone (MIBK), and cyclohexanone (CH) at T = 303.15 K and at atmospheric pressure.…”

Section: Introductionmentioning

confidence: 77%

Excess molar volumes and ultrasonic studies of N-methyl-2-pyrrolidone with ketones at T=303.15K

Kumari

Venkatesu

Rao

et al. 2009

The Journal of Chemical Thermodynamics

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Section: Introductionmentioning

confidence: 77%

Excess molar volumes and ultrasonic studies of N-methyl-2-pyrrolidone with ketones at T=303.15K

Kumari

Venkatesu

Rao

et al. 2009

The Journal of Chemical Thermodynamics

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“…Temperature composition ( T xy ) phase diagram of trichloroethylene and DMSO at 95.3 kPa (C). The dotted line and square symbols represents experimental , and simulation data.…”

Section: Resultsmentioning

confidence: 99%

Transferable Potentials for Chloroethenes: Insights into Nonideal Solution Behavior of Environmental Contaminants

Goel

Rai

2018

ACS Omega

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Predicting the nonideal phase behavior of binary and multicomponent systems remains a significant challenge for particle-based simulations. Here, we develop a transferable force field for chloroethenes, common environmental contaminants, that can accurately model the vapor liquid phase equilibria including azeotrope formation. The new all-atom force field reproduces saturated liquid densities, saturated vapor pressures, boiling points, and critical properties within 1, 10, 1, and 1% of the experiment data, respectively. Furthermore, the vapor liquid equilibria of trichloroethylene and 1-propanol binary mixture, which forms a minimum boiling point azeotrope, is predicted with a reasonable accuracy. The microstructure of neat and binary systems is explored using pair correlation functions and spatial distribution functions. As the new force field is consistent with transferable potentials for phase equilibria (TraPPE) force field, it expands the applicability of TraPPE force field to chloroethenes.

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“… a Standard uncertainties u are u ( T ) = 0.1 K, u (purity) = 0.001; u (water) = 0.0001; u (ρ) = 0.00001. T b , normal boiling point; ρ, density. b From ref . c From ref . d From ref . e From ref . f From ref . g From ref . …”

Section: Experimental Sectionmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibrium of Binary and Ternary Systems with 2-Ethoxyethanol + Ethylbenzene + Dimethyl Sulfoxide

Wang

Bai

2013

J. Chem. Eng. Data

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Isobaric vapor–liquid equilibrium (VLE) at 100 ± 0.1 kPa for the binary and ternary systems with 2-ethoxyethanol + ethylbenzene + dimethyl sulfoxide (DMSO) was determined with a modified Othmer still. All of the binary VLE data passed the Herington test and the Wisniak test. It was determined that 2-ethoxyethanol and ethylbenzene form a binary azeotrope at 127.4 °C, 48.5 mol % 2-ethoxyethanol at 100 ± 0.1 kPa. By adding DMSO as a solvent at 0.50 mass fraction, the binary azeotrope of 2-ethoxyethanol and ethylbenzene was broken successfully. The binary VLE data were correlated with Wilson, nonrandom two-liquid (NRTL), and universal quasichemical activity coefficient (UNIQUAC) models with minor deviations. The correlated binary interaction parameters were then used to predict the ternary VLE behavior, which fit well with the experimental data. These results provide a theoretical basis for the separation of a 2-ethoxyethanol and ethylbenzene mixture with DMSO as a promising solvent in extractive distillation.

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Isobaric Vapor–Liquid Equilibrium for Dimethylsulfoxide with Chloroethanes and Chloroethenes

Cited by 15 publications

References 23 publications

Excess molar volumes and ultrasonic studies of N-methyl-2-pyrrolidone with ketones at T=303.15K

Excess molar volumes and ultrasonic studies of N-methyl-2-pyrrolidone with ketones at T=303.15K

Transferable Potentials for Chloroethenes: Insights into Nonideal Solution Behavior of Environmental Contaminants

Isobaric Vapor–Liquid Equilibrium of Binary and Ternary Systems with 2-Ethoxyethanol + Ethylbenzene + Dimethyl Sulfoxide

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