New solid equation of state combining excess energy mixing rule for solid–liquid equilibria

Twu, Chorng H.; Tassone, Vince; Sim, Wayne

doi:10.1002/aic.690491125

Cited by 6 publications

(3 citation statements)

References 7 publications

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“…In this study, the residual part was described using an improved regular solution model, and the combinatorial part was described using the predictive Wilson equation with the consideration of the end effects between molecules. In addition, Twu et al combined the solid extended cubic equation of state with the excess Helmholtz energy mixing rule to handle highly nonideal systems for the accurate prediction of SLE.…”

Section: Introductionmentioning

confidence: 99%

New Predictive Nonrandom Two Liquid Equation for Solid–Liquid Phase Equilibrium in n-Alkanes Mixture with Multiple Solid Solutions

Wang

Bai

et al. 2019

Ind. Eng. Chem. Res.

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In this work, a predictive nonrandom two-liquid (NRTL) equation analyzed from binary experimental data is proposed to model the solid–liquid equilibrium in the n-alkanes mixture. The predictive NRTL describes the nonideality of the ordered solid phase, whose binary interaction parameters are obtained from a correlation formula. The mathematical form of the correlation formula is summarized from the relationship between the excess Gibbs free energy and the carbon number mismatch parameter in binary mixtures. The coefficients of the correlation formula are regressed from binary experimental data. With this model, it is possible to provide ordered-rotator solid transition phase diagrams with complete or partial miscibility. The crystallization behaviors of nine mixtures are also used to test the model, indicating adequate accuracy. Furthermore, the predictive NRTL can predict potential multiple solid solutions, whose number is changeable with the n-alkanes range of the feed, and the concentration of each solid solution is a normal distribution.

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Section: Introductionmentioning

confidence: 99%

New Predictive Nonrandom Two Liquid Equation for Solid–Liquid Phase Equilibrium in n-Alkanes Mixture with Multiple Solid Solutions

Wang

Bai

et al. 2019

Ind. Eng. Chem. Res.

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“…The advanced cubic equation of state has also been successfully extended to the prediction of solid-liquid equilibria (SLE). 11 At this time, we intend to extend the advanced cubic equation of state to the polymer system so that CEoS can be applied to describe polymer/solvent systems over a broad range of temperatures and pressures in a consistent and unified framework.…”

Section: Introductionmentioning

confidence: 99%

“…Our recent efforts – toward the development of a unified excess Helmholtz energy ( A E ) mixing rule and a new cubic equation of state TST (Twu−Sim−Tassone) for highly nonideal and associated systems in predicting vapor−liquid equilibria (VLE) have been highly successful. The advanced cubic equation of state has also been successfully extended to the prediction of solid−liquid equilibria (SLE) . At this time, we intend to extend the advanced cubic equation of state to the polymer system so that CEoS can be applied to describe polymer/solvent systems over a broad range of temperatures and pressures in a consistent and unified framework.…”

Section: Introductionmentioning

confidence: 99%

A Novel Theory for Predicting Critical Constants and the α Function for Pure Polymers

Twu¹

2010

Ind. Eng. Chem. Res.

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The cubic equation of state (CEoS) requires critical temperature (T c ), critical pressure (P c ), and the alpha (R) function for all components including polymers before it can be used for the prediction of phase behavior and thermodynamic properties for the system. For nonpolymers or conventional components, T c , P c , and R usually are available in databanks. However, this is not the case for polymers since their critical point is not measurable and they lack vapor pressures for the derivation of the R function. As a result, the task of finding CEoS critical constants as well as the R function for polymers becomes extremely challenging in the case of polymeric systems. A rigorous theory requiring only the liquid density data of the pure polymer is successfully developed in this work for the accurate prediction of the critical temperature, the critical pressure, and the R function for the pure polymer for use in all types of cubic equations of state. The proposed theory extends the application of cubic equations of state to polymer systems in a very simple fashion.

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CEoS aid in evaluation of enthalpy of reaction

Rosa

Laredo

Viveros

et al. 2006

Chemical Engineering and Processing: Process Intensification

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New solid equation of state combining excess energy mixing rule for solid–liquid equilibria

Cited by 6 publications

References 7 publications

New Predictive Nonrandom Two Liquid Equation for Solid–Liquid Phase Equilibrium in n-Alkanes Mixture with Multiple Solid Solutions

New Predictive Nonrandom Two Liquid Equation for Solid–Liquid Phase Equilibrium in n-Alkanes Mixture with Multiple Solid Solutions

A Novel Theory for Predicting Critical Constants and the α Function for Pure Polymers

CEoS aid in evaluation of enthalpy of reaction

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