Modified UNIFAC (Dortmund). Reliable Model for the Development of Thermal Separation Processes.

Lohmann, Jürgen; Gmehling, Jürgen

doi:10.1252/jcej.34.43

Cited by 44 publications

(33 citation statements)

References 20 publications

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“…The likely reason for that is that EC is not simply homologous with respect to PC. Lohmann and Gmehling [14] also found it necessary to introduce a separate EC subgroup in their parameterization of modified UNIFAC (Dortmund) for organic carbonates.…”

Section: Prediction Of Missing Interactionsmentioning

confidence: 99%

Prediction of gas solubility in battery formulations

Kolář¹,

Nakata²,

Shen³

et al. 2005

Fluid Phase Equilibria

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Section: Prediction Of Missing Interactionsmentioning

confidence: 99%

Prediction of gas solubility in battery formulations

Kolář¹,

Nakata²,

Shen³

et al. 2005

Fluid Phase Equilibria

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“…Table S6 (SM7) presents the obtained binary interaction parameters. Predictive group-contribution activity coefficient methods, namely Lyngby modified UNIFAC [28] and Dortmund modified UNIFAC [29][30][31][32][33] were also evaluated. The identification and number of groups considered in each component are given in Table S7 (SM7). Model performance is evaluated in terms of average deviations in temperature and vapor phase composition (of the alcohol) for each isobaric VLE data set as given in Table 6.…”

Section: Thermodynamic Modelingmentioning

confidence: 99%

Phase equilibrium data and modeling of ethylic biodiesel, with application to a non-edible vegetable oil

Fahad

Oliveira

Pignat

et al. 2017

Fuel

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a b s t r a c tContributing to extending the knowledge for the design and operation of biodiesel production processes, isobaric PTxy vapor-liquid equilibria data of ethanol + ethyl hexanoate, 1-pentanol + ethyl hexanoate and 1-pentanol + ethyl octanoate at two different pressures are reported for the first time. Consistency tests were applied to attest the quality of the collected data, for these especially complex measurements. Besides that, vapor pressures of the pure ethyl esters have also been measured. For modeling purposes, the Lyngby and Dortmund UNIFAC variants were used to predict the VLE phase diagrams. Generally, the predictions are of very good quality, being the UNIFAC-Do (Dortmund) better, as the deviations in temperature and vapor compositions are always lower to 1.0 K and 0.020, respectively. Checking for the viability for extrapolations in pressure, CPA EoS was also applied to the modeling of the experimental data with very good results. Finally, aiming at examining the model capabilities to describe multicomponent systems, VLE measurements involving two alcohols and the fatty acid ethyl ester mixture obtained from non-edible vegetable oil have been carried out showing the good performance of the predictive models.

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“…The prediction was also performed using the modified UNIFAC (Dortmund) model, and the prediction accuracies were compared. The group interaction parameters of the Pharma Modified UNIFAC and modified UNIFAC (Dortmund) models were taken from the papers by Diedrichs and Gmehling [16] and Gmehling et al [17][18][19][20][21], respectively.…”

Section: Prediction Of Solubilities Using Pharma Modified Unifacmentioning

confidence: 99%

“…These predicted results were compared with those obtained using modified UNIFAC (Dortmund) [17][18][19][20][21].…”

Section: Introductionmentioning

confidence: 99%

Determination and prediction of solubilities of active pharmaceutical ingredients in selected organic solvents

Matsuda

Mori

Tomioka

et al. 2015

Fluid Phase Equilibria

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Modified UNIFAC (Dortmund). Reliable Model for the Development of Thermal Separation Processes.

Cited by 44 publications

References 20 publications

Prediction of gas solubility in battery formulations

Prediction of gas solubility in battery formulations

Phase equilibrium data and modeling of ethylic biodiesel, with application to a non-edible vegetable oil

Determination and prediction of solubilities of active pharmaceutical ingredients in selected organic solvents

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