Test of prediction methods for interfacial tensions of CO2 and ethane in hydrocarbon solvents

Gasem, Khaled A. M.; Dulcamara, Peter B.; Dickson, Kenneth B.; Robinson, Robert L.

doi:10.1016/0378-3812(89)80071-8

Cited by 27 publications

(20 citation statements)

References 11 publications

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“…Several examples illustrate this: The surface tension of benzene is reproduced with a deviation of |δγ| ≈ 4 % using the corresponding-states (CS) correlation by Sastry and Rao 46 , |δγ| = 1 % with the CS correlation by Zuo and Stenby 45 , and |δγ| = 8.5 % from a parachor correlation [43][44][45] ; the molecular model from Huang et al 9 has |δγ| = 11.9 %. For cyclohexane, |δγ| ≈ 1 % is obtained following CS by Sastry and Rao 46 , |δγ| = 0.7 % with CS by Zuo and Stenby 45 , |δγ| = 7.4 % from the parachor correlation [43][44][45] , and |δγ| = 10.8 % with the molecular model from Merker et al 5 .…”

Section: Resultsmentioning

confidence: 91%

“…By molecular dynamics (MD) simulation, predictions of interfacial properties from bulk properties are obtained. Used in this way, molecular modeling can be compared to other approaches for predicting the surface tension from bulk data, such as phenomenological parachor correlations [42][43][44][45] , corresponding-states or critical-scaling expressions 45,46 , which are also phenomenological correlations, and other molecular methods, e.g. square gradient theory 47 and density functional theory 48,49 on the basis of molecular equations of state [50][51][52][53] .…”

Section: Introductionmentioning

confidence: 99%

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Molecular modelling and simulation of the surface tension of real quadrupolar fluids

Werth

Stöbener

Klein

et al. 2015

Chemical Engineering Science

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Section: Resultsmentioning

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Molecular modelling and simulation of the surface tension of real quadrupolar fluids

Werth

Stöbener

Klein

et al. 2015

Chemical Engineering Science

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“…4) and Lee-Chien (Eq.11). Gasem et al [15] evaluated the above two correlations and the modified parachor mixing rules of Hugill and Van Welsenes (Eq. 5-7) against binary data of C02 or ethane-hydrocarbon systems.…”

Section: Resultsmentioning

confidence: 99%

A Modified Scaling Law and Parachor Method Approach for Improved Prediction of Interfacial Tension of Gas-Condensate Systems

Danesh¹,

Dandekar²,

Todd³

et al. 1991

SPE Annual Technical Conference and Exhibition

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The interfacial tension (I.F.T.) of petroleum reservoir fluids are commonly predicted by either the parachor method or the scaling law. Both methods have been evaluated against literature data of binary systems. The predictive capability of the methods have been improved by a simple modification of the original correlations. The superiority of modified methods have been demonstrated by comparing predicted results with experimental I.F.T. values for two gas condensate fluids at wide ranges of pressure and temperature.

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“…Since that time, lots of efforts have been undertaken for the determination of surface tension of pure compounds. These new works have been mainly based on parachor parameter, modification of the original correlation of Macleod, corresponding state principles, molecular dynamics (MD) simulations, finite‐size scaling approach, transferable potentials for phase equilibria (TraPPE), and optimized potentials for liquid simulations (OPLS) force fields, equations of state, molecular layer structure theory (MLST), correlation between surface tension and liquid compressibility, and statistical‐mechanic accompanied by corresponding state principle . A rigorous review on these methods has been already well‐presented .…”

Section: Theorymentioning

confidence: 99%

Development of corresponding states model for estimation of the surface tension of chemical compounds

Gharagheizi

Eslamimanesh

Sattari³

et al. 2012

AIChE Journal

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The gene expression programming (GEP) strategy is applied for presenting two corresponding states models to represent/predict the surface tension of about 1,700 compounds (mostly organic) from 75 chemical families at various temperatures collected from the DIPPR 801 database. The models parameters include critical temperature or temperature/critical volume/acentric factor/critical pressure/reduced temperature/reduced normal boiling point temperature/molecular weight of the compounds. Around 1,300 surface tension data of 118 random compounds are used for developing the first model (a four‐parameter model) and about 20,000 data related to around 1,600 compounds are applied for checking its prediction capability. For the second one (a five‐parameter model), about 10,000 random data are applied for its development, and 11,000 data are used for testing its prediction ability. The statistical parameters including average absolute relative deviations of the results form dataset values (25 and 18% for the first and second models, respectively) demonstrate the accuracy of the presented models. © 2012 American Institute of Chemical Engineers AIChE J, 59: 613–621, 2013

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Test of prediction methods for interfacial tensions of CO2 and ethane in hydrocarbon solvents

Cited by 27 publications

References 11 publications

Molecular modelling and simulation of the surface tension of real quadrupolar fluids

Molecular modelling and simulation of the surface tension of real quadrupolar fluids

A Modified Scaling Law and Parachor Method Approach for Improved Prediction of Interfacial Tension of Gas-Condensate Systems

Development of corresponding states model for estimation of the surface tension of chemical compounds

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