Results 71 to 80 of about 351 (174)

Optimizing UNIQUAC model parameters using an enhanced evolutionary algorithm: applications in vapor–liquid equilibrium modeling

International Journal of Thermofluids
Parameter estimation in thermodynamic models is challenging due to nonlinearity, flat objective functions near optima, poorly scaled models, and nondifferential terms.
Swati Yadav, Rakesh Angira
doaj   +1 more source

Using the Intrinsic Geometry of Binodal Curves to Simplify the Computation of Ternary Liquid-Liquid Phase Diagrams. [PDF]

Entropy (Basel), 2023
Shcherbakova N, Gerbaud V, Roger K.
europepmc   +1 more source

Using Reaktoro for mineral and gas solubility calculations with the Extended UNIQUAC model

Applied Geochemistry
The extended UNIQUAC model is a thermodynamic model able to estimate thermodynamic properties of aqueous electrolyte solutions under a wide range of temperature, pressure, and composition conditions. Thermodynamic properties include species activity coefficients, excess molar Gibbs energy, excess molar enthalpy, excess molar heat capacity.
Allan M. M. Leal, Tim Tambach, Diego Volpatto, Xiaodong Liang, Philip Loldrup Fosbøl, Kaj Thomsen   +5 more
openaire   +3 more sources

Isobaric Vapor-Liquid Equilibrium Data for Tetrahydrofuran + Acetic Acid and Tetrahydrofuran + Trichloroethylene Mixtures. [PDF]

J Chem Eng Data, 2023
Parsana VM, Parikh S, Ziniya K, Dave H, Gadhiya P, Joshi K, Gandhi D, Vlugt TJH, Ramdin M.   +8 more
europepmc   +1 more source

A green hydrophobic deep eutectic solvent for extraction of phenol from aqueous phase. [PDF]

Sci Rep, 2023
Saien J, Bahiraei M, Jafari F.
europepmc   +1 more source

Mixed Solvent Electrolyte Solutions: A Review and Calculations with the eSAFT-VR Mie Equation of State. [PDF]

Ind Eng Chem Res, 2023
Novak N, Kontogeorgis GM, Castier M, Economou IG.   +3 more
europepmc   +1 more source

Vapor-Liquid-Liquid Equilibrium of Methanol, Cyclohexane, and Hexane Systems at 0.1 MPa: Binary and Ternary Phase Behavior Analysis

Eurasian Chemico-Technological Journal
This study presents an evaluation of the liquid-liquid equilibria (LLE) for both binary and ternary systems involving methanol, cyclohexane, and n-hexane at a pressure of 1 MPa.
Q.F. Gillani, P. Askar, A. Ospanova, M.A. Jamali, N. Nuraje   +4 more
doaj   +1 more source

Ammonium chloride solid-liquid equilibrium in water-ethanol solutions. Experimental study and interaction parameters fitting for the extended UNIQUAC model

Results in Engineering
Ammonium chloride (NH₄Cl) is widely used in agriculture, medicine, and flame-retardant applications, yet solubility data in mixed solvents remain limited for process design.
Miguel-Ángel Gómez-García, Juan-Camilo Giraldo, Izabela Dobrosz-Gómez   +2 more
doaj   +1 more source

Simulation of Batch Reactive Distillation for Biodiesel Production from Oleic Acid Esterification

Iraqi Journal of Chemical and Petroleum Engineering, 2018
The present work concerns with simulating unsteady state equilibrium model for production of methyl oleate (biodiesel) from reaction of oleic acid with methanol using sulfuric acid as a catalyst in batch reactive distillation.
Nada B. Nakkash, Sarah R. Al-Karkhi
doaj  

Making thermodynamic models of mixtures predictive by machine learning: matrix completion of pair interactions. [PDF]

Chem Sci, 2022
Jirasek F, Bamler R, Fellenz S, Bortz M, Kloft M, Mandt S, Hasse H.   +6 more
europepmc   +1 more source