Results 121 to 130 of about 671 (174)

Modeling aqueous multivalent polyelectrolytes systems with polyelectrolyte NRTL model

Journal of Molecular Liquids, 2021
Abstract Thermodynamic modeling of aqueous polyelectrolyte systems is of great interest in many industrial applications and biological systems. Recently a Polyelectrolyte Nonrandom Two-Liquid activity coefficient model was proposed for aqueous monovalent polyelectrolyte systems.
Yuan Li, Yue Yu, Chau-Chyun Chen
openaire   +1 more source

Development of the NRTL functional activity coefficient (NRTL-FAC) model using high quality and critically evaluated phase equilibria data. 1

Fluid Phase Equilibria, 2021
Abstract The non-randomness two-liquid model (NRTL) has been used successfully in chemical engineering to calculate phase equilibria. Different forms of the NRTL model have been developed, including original NRTL, electrolyte NRTL (e-NRTL), polymer NRTL and segment based NRTL (NRTL-SAC).
Jaber Yousefi Seyf
exaly   +2 more sources

Introduction Of The Group Contribution Concept Into The Nrtl Model

Energy Procedia, 2012
AbstractGenerally the NRTL activity coefficient model has shown great capabilities in predicting liquid-liquid or liquidvapour phase equilibria. However its major drawback is the non availability of the required molecular interaction parameters for a huge number of chemical systems.
Bouneb, N., Meniai, A.-H., Louaer, W.
exaly   +2 more sources

MSA-NRTL model for the description of the thermodynamic properties of electrolyte solutions

Physical Chemistry Chemical Physics, 2002
The mean spherical approxn. (MSA) approach for electrolyte solns. is combined with a modified non-random two-liq. (NRTL) approach. The resulting model is suitable for a description of the thermodn. properties of electrolyte-multisolvent systems. The ability of this MSA-NRTL model is investigated by examg. activity and osmotic coeffs.
Papaiconomou, N., Simonin, J.-P., Bernard, Olivier, Kunz, W.   +3 more
openaire   +3 more sources

Thermodynamic modeling for CO2 absorption in aqueous MEA solution with electrolyte NRTL model

Fluid Phase Equilibria, 2011
Accurate modeling of thermodynamic properties for CO2 absorption in aqueous alkanolamine solutions is essential for the simulation and design of such CO2 capture processes. In this study, we use the Electrolyte Nonrandom Two-Liquid activity coefficient model to develop a rigorous and thermodynamically consistent representation for the MDEA−H2O−CO2 ...
Chau-Chyun Chen
exaly   +2 more sources

Use of hydration and dissociation chemistries with the electrolyte–NRTL model

AIChE Journal, 1999
AbstractSound theoretical understanding and accurate mathematical representation of electrolyte solution nonideality were the subject of extensive research efforts for decades. It is demonstrated that these goals can be achieved by incorporation of hydration and partial dissociation chemistries with the semi‐empirical electrolyte NRTL model.
Chau‐Chyun Chen, Paul M. Mathias, Hasan Orbey   +2 more
openaire   +1 more source

A new NRTL-based local composition model for thermodynamic modeling of electrolyte solutions

The Journal of Chemical Thermodynamics, 2021
Abstract A new local composition model for the expression of excess Gibbs energies and activity coefficients in binary and multicomponent electrolyte solutions is presented in this work. The model is based on the nonrandom two-liquid (NRTL) theory and is developed assuming the random contribution of ions and molecules around central species at ...
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Calculations of thermodynamic derivative properties from the NRTL and UNIQUAC models

Thermochimica Acta, 1997
Abstract The local composition models NRTL and UNIQUAC with temperature-dependent parameters have been employed to calculate the surfaces of excess heat capacity, C E p , excess enthalpy, h E and thermodynamic factor, Γ for binary liquid mixtures. These thermodynamic properties represent the derivatives of the models with respect to temperature,
Demirel Y., Paksoy H.O.
openaire   +2 more sources

The refined e-NRTL model applied to CO2–H2O–alkanolamine systems

Chemical Engineering Science, 2010
The electrolyte NRTL (e-NRTL) model by Chen (1982) and Chen and Evans (1986) is perhaps the most commonly used activity coefficient based thermodynamic model for industrial systems. It has been shown by Bollas et al. (2008) that the original e-NRTL model is inconsistent for systems with multiple cations and/or anions, in the same work the model ...
Tore Haug-Warberg, Hallvard F Svendsen
exaly   +2 more sources

Application of Modified NRTL Models for Binary LLE Phase Characterization

Industrial & Engineering Chemistry Research, 2018
Phase characterization of liquid–liquid mixtures is required in numerous chemical process calculations. The original nonrandom two-liquid (NRTL) model is used widely in describing liquid–liquid equilibria (LLE). Application of this model, however, is affected by (a) lack of reliable parameters, (b) a wide range of acceptable parameter values, and (c ...
Younas Dadmohammadi, Solomon Gebreyohannes, Brian J. Neely, Khaled A. M. Gasem   +3 more
openaire   +1 more source