Isothermal (vapour+liquid) equilibria for binary mixtures of diisopropyl ether with (methanol, or ethanol, or 1-butanol): Experimental data, correlations, and predictions

Reddy, Pramod; Benecke, Travis Pio; Ramjugernath, Deresh

doi:10.1016/j.jct.2012.11.005

Cited by 11 publications

(5 citation statements)

References 43 publications

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“…The experimental data for 1,2-dichloroethane and 1-butanol are compared with the model predictions in Figures and , respectively. Comparisons with the literature − values for both the species are shown in Figures and . The RMSD and % AARD calculated on the basis of temperature (eqs and ) are reported in Table .…”

Section: Resultsmentioning

confidence: 96%

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Isobaric Vapor Liquid Equilibrium Data for the 1,2-Dichloroethane–1-Butanol System

Tailor

Bhate

2019

J. Chem. Eng. Data

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Boiling points for 1,2-dichloroethane and 1-butanol were determined, and P−T−x data for the binary mixture were measured under isobaric conditions using a modified ebulliometer in the pressure range of (101.325 to 60.0) kPa. The pure component experimental vapor pressure data were modeled using Antoine, Wagner, and Thomas models and compared with the literature values. The modeling of binary VLE data was done using Margules 3-suffix, Wilson, and NRTL models. The average RMSD(T) values based on the literature and model predictions for the pure components are in the ranges of (0.42 to 0.47) K and (0.03 to 0.08) K, respectively. Similarly, for the binary system the average RMSD(T) value based on the model prediction is 0.33 K.

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Section: Resultsmentioning

confidence: 96%

“…Relative difference in the experimental vapor pressure for 1-butanol: ⧫, predicted data; ●, Song et al. ; +, Brown et al; ×, Zawadzki et al; □, Susial et al; −, Yaws; ○, Ngema et al; Δ, Kemme et al; ◊, Reddy et al; ▲, Dejoz et al …”

Section: Resultsmentioning

confidence: 99%

Isobaric Vapor Liquid Equilibrium Data for the 1,2-Dichloroethane–1-Butanol System

Tailor

Bhate

2019

J. Chem. Eng. Data

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“…Shown in table 2 are the experimental equilibrium data for biofuel systems obtained from published articles. The VLE data for butan-1-ol + DIPE system at 318.15 K was obtained from the study of Reddy et al [4] and the data for butan-1-ol + MBTE at 313.15 K was obtained from the study of Park et al [6]. Additionally, the VLE data for butan-1-ol + DIPE + benzene system at 313.15 K was obtained from the study of Villamañan et al [5] while the data for butan-1-ol + MBTE + methanol at 298.15 K was obtained from the study of Antonio Gonza Âlez et al [7].…”

Section: Equilibrium Input Datamentioning

confidence: 99%

Estimation of excess Gibbs free energy of multicomponent biofuel mixtures of Butan-1-ol using machine learning methods based on modified Raoults law models

Buenaobra,

Madlangbayan,

Ong

et al. 2023

ACE

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In biofuels, the excess Gibbs free energy of mixing is a very important thermodynamic property as it is used in evaluating the efficiency and sustainability in terms of energy conversion. Multiple biofuel systems containing butan-1-ol were examined with oxygenate ether additives such as MTBE and DIPE using isothermal vapour-liquid equilibrium data at different temperatures (298.15K, 313.15K, 318.15K). Two activity coefficient models, Wilson and van Laar model were compared by determining the bubble pressure and vapor mole fractions of each system using Modified Raoults Law and Machine Learning techniques. Besides, mole fractions and activity coefficients were used to identify the excess property. Results showed that Wilson model is appropriate for all the biofuel systems when using the Artificial Neural Network (ANN) resulting in an MSE of 3.2010e-09, 4.6792e-10, 1.6186e-10, and 5.3461e-07. In addition, van Laar model is more acceptable when Rational Quadratic GPR or Fine Tree algorithm were used with an average RMSE of 0.005820.01 and 0.020950.03 respectively. Lastly, the generated data for both activity coefficient models were also used to estimate the systems excess Gibbs free energy of mixing across varying mole fraction of its components.

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“…Alcohols, such ethanol, 1-propanol or 1-butanol and esters such butyl acetate, are solvents used in several industries. Alcohols are frequently used as oxygenated additives to improve the octane number in reformulated gasolines 1,2 . Esters are commonly employed as biofuel additives 3,4 .…”

Section: Introductionmentioning

confidence: 99%

Experimental VLE Data of Binary Systems of Ester + Alcohol at 0.6 MPa. Verification using new Association Parameters for the Point– to–Point Test

et al. 2023

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Experimental data of vapor–liquid equilibria (VLE) are reported for the following binary systems: butyl acetate+ethanol, butyl acetate+1–propanol and butyl acetate+1–butanol at 0.6 MPa. No azeotrope was found in the butyl acetate+1–butanol system at 0.6 MPa. The thermodynamic consistency of the obtained data was analyzed using some equations of state (EOS) in the point–to–point test. The phase behavior was satisfactorily modelled using the Peng–Robinson EOS. The new association parameter of the Hayden–O’Connell method was determined from 144 pure substances and the influence of the second virial coefficient calculations in the point–to–point test was evaluated.

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Isothermal (vapour+liquid) equilibria for binary mixtures of diisopropyl ether with (methanol, or ethanol, or 1-butanol): Experimental data, correlations, and predictions

Cited by 11 publications

References 43 publications

Isobaric Vapor Liquid Equilibrium Data for the 1,2-Dichloroethane–1-Butanol System

Isobaric Vapor Liquid Equilibrium Data for the 1,2-Dichloroethane–1-Butanol System

Estimation of excess Gibbs free energy of multicomponent biofuel mixtures of Butan-1-ol using machine learning methods based on modified Raoults law models

Experimental VLE Data of Binary Systems of Ester + Alcohol at 0.6 MPa. Verification using new Association Parameters for the Point– to–Point Test

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