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Showing 1 to 13 of 13 for “"NRTL"”.
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Evaluation und Erweiterung thermodynamischer Modelle zur Vorhersage von Wirkstofflöslichkeiten
… UNIFAC, Mod. UNIFAC (Do), COSMO-RS(Ol), NRTL-SAC, Pharma Mod. UNIFAC). Die Anzahl an berechenbaren Löslichkeitsdaten hängt aufgrund modellspezifischer Parameter vom Aktivitätskoeffizientenmodell ab. Der Vergleich mit verfügbaren experimentellen Daten zeigt, dass sich die Modelle in ihrer …
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Thermodynamische Untersuchungen von Phasengleichgewichten in komplexen Systemen mit assoziierenden Komponenten
… were fitted with the activity coefficient models NRTL and UNIQUAC, as well as with the equations of state Elliott-Suresh-Donohue (ESD) and Perturbed-Chain-Statistical Associating Fluid Theory (PC-SAFT) which contain both a term to consider explicit hydrogen bonds. In addition, the predictive …
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Vapor-liquid equilibria of a low GWP refrigerant, R-1234ze(E), mixed with a POE lubricant
… models is undertaken, namely: the Wilson model, NRTL, UNIQUAC, Heil, and Raoult’s law. Overall, the Heil model provides the best agreement in pressure predictions for R-1234ze(E)/RL68H mixtures, with RMS deviations less than 0.5%, while NRTL RMS deviations are less than 1%. However, comparable …
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Application of COSMO-SAC to Solid Solubility in Pure and Mixed Solvent Mixtures for Organic Pharmacological Compounds
… Two-Liquid, Segment Activity Coefficient (NRTL-SAC) model. We find UNIFAC is a more accurate method for predicting VLE behavior than the COSMO-SAC model for many of the systems studied, and that COSMO-SAC predicts solute mole fraction in pure solvents with an average root-mean-squared error …
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Advanced liquid-liquid extraction : studies in a laboratory mixer-settler
… data and the predictions obtained by the NRTL equation have been found. Extraction processes have been analysed. A model for determination of the time needed for a countercurrent stage-wise process to come to steady state has been derived. The experimental data was in reasonable agreement …
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A comparison of thermodynamic models for the prediction of phase behavior in aqueous-polymer two-phase systems
… model by Heil; several local composition models (NRTL, Wilson, and UNIQUAC); and two group-contribution models (ASOG and UNIFAC) are all discussed. The development of a solvent-electrolyte model (Chen's model) based on local composition theory (in particular the NRTL model) is reviewed, and the …
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Medição Experimental E Predição Da Volatilidade De Flex Fuels
… os dados foram correlacionados pelo modelo NRTL. O desvio médio obtido foi inferior 0,30 ao desvio padrão de 1,5 kPa esperado nas medidas
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Modelling approaches for rational solvent selection in drug development, enhancing the solubility prediction of small molecules
… solubility in silico, including: COSMOtherm, NRTL-SAC, UNIFAC, and SAFT-γ Mie.;This work will focus on the use and appraisal of ab initio method COSMOtherm and the application of a "correction factor" using the machine learning algorithm random forest to improve accuracy of predictions. …
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Measurements of the Molar Heat Capacity and the Molar Excess Enthalpy for Various Alkanolamines in Aqueous Solutions
… theory and group contribution modelslike NRTL (Non-random Two-liquid), UNIQUAC (Universal-Quasi chemical), and UNIFAC (Universal Functional activity coefficient) were used to model the experimental values of the molar excess enthalpies. Among the three above-mentioned models, the modified …
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Batch separation of tetrafluoroethylene, hexafluoropropylene and octafluorocyclobutane
… the Wong- Sandler mixing rules alongside the NRTL alpha function. The model was fitted with mean relative deviations lower than 1.2 %, indicating an acceptably accurate description of the VLE data gathered by the model. The experimental data and the model also passed the thermodynamic …
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Thermodynamic and Experimental Studies of Ionic Liquids for Carbon Dioxide Capture
… mixing rules, and Non-Random Two-Liquid (NRTL) activity coefficient model. Binary interaction parameters were obtained for the correlations. All models produced low values for their average absolute deviations, implying they can satisfactorily describe the solubility of CO2 in ionic …
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Phase Equilibria and Transport Properties of Gas-Saturated Ionic Liquids
… of semi-theoretical models such as the Eyring-NRTL and Allal FVT models are proposed here for improved property predictions. Thermal conductivity investigations of HFC/IL mixtures conducted here reveal significant deviations from simple mixing behavior. The thermal conductivity remains largely …