Fluid Phase Equilibria

Article	Citations
Isobaric vapor-liquid equilibrium for ethanol/water and binary linear siloxane mixtures at 100 kPa	57
Sublimation thermodynamics of antifungal drugs: Tioconazole, miconazole and climbazole	50
New insights and updated correlations for density, viscosity, refractive index, and associated properties of aqueous 4-diethyl-amino-2-butanol solution	47
Molecular dynamics simulation of the effect of alkyl side chain length on the mixture of imidazolium-based ionic liquids and water	44
Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts	41
Molecular dynamics simulations and experimental measurements of density and viscosity of phase change material based on stearic acid with graphene nanoplatelets	41
The SAFT-VR Morse equation of state for liquid alkali metals	41
An equation of state based on the intermolecular potential and the radial distribution function to estimate the virial coefficients by using PvT chaotic data	40
Application of Pathfinder, Honey Badger, Red Fox and Horse Herd algorithms to phase equilibria and stability problems	40
Preface of ESAT 2021	40
Experiment design as a tool for hydrate phase equilibria prediction of CO2 + CH4 gas mixture in the presence of tera-butylammonium bromide in LW–H–V systems	39
Experimental measurements of CO2 solubility, viscosity, density, sound velocity and evaporation rate for 2-(2-aminoethoxy)ethanol (DGA) + 1-methylpyrrolidin-2-one (NMP) / water + ionic liquid systems	35
A new extension for local composition model – From theory to Equation of State	32
Introducing hydrogen bonding term to the Patel-Teja viscosity equation of state for hydrochlorofluorocarbons, hydrofluorocarbons and hydrofluoroolefins	31
PρT and liquid-gas phase transition properties (P	31
Dielectric constant prediction of pure organic liquids and their mixtures with water based on interpretable machine learning	30
Phase equilibrium data and thermodynamic modeling of systems involving 2-methyltetrahydrofuran-3-one, carbon dioxide and glucose	29
Thermophysical properties of the SPC/E model of water between 250 and 400 K at pressures up to 1000 MPa	29
Drying kinetics of polymer-based pharmaceutical formulations	27
Solid–liquid equilibrium, density and electrical conductivity data for water + monoethylene glycol + calcium chloride mixtures	26
SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients	26
Calculation of liquid Cp of pure compounds using an improved thermodynamic model based on group contributions and artificial neural networks	25
Isothermal vapor-liquid equilibria for binary liquid mixtures of ethylmercaptan and propylmercaptan with some common solvents	25
Phase equilibria and crystallographic structure of clathrate hydrate formed with carbon dioxide and cyclohexanone	24
Experimental measurement and prediction of thermal conductivity of fatty acid ethyl esters: ethyl butyrate and ethyl caproate	24

Theoretical considerations on single and mixed solvent electrolyte solutions	24
Molecular dynamics simulation of vapor-liquid equilibrium in 1-alkanol unary systems: a study of surface tension, density, and vapor pressure of TraPPE-UA force field	23
Measurement of the critical temperatures, pressures, heat capacities, and thermal diffusivities of four furanic compounds involved in the production of second-generation biofuels	22
High-pressure phase equilibrium data of carbon dioxide/food-relevant systems (2011-2022): Experimental methods, multiphase behavior, thermodynamic modeling, and applications	22
A classification of phase envelopes for reservoir fluids with asphaltene onset lines: Exploring topology transitions based on compositional changes	22
A bayesian deep learning-based approach to group contribution methods: A study on cannabinoids and terpenes	22
Thermodynamic modeling and parameter estimability analysis of a wet phosphoric acid process with impurities	21
High purity carbon dioxide captured with guanidinium sulfate clathrate from carbon dioxide/hydrogen mixtures	21
Can MOF — Isobutane integration enhance adsorption refrigeration cycle? An accelerated approach using active learning and Monte Carlo simulations	21
A simple correlation for reliable prediction of intrinsic viscosity (limiting viscosity number) of different polymer-solvent combinations	21
CO2 solubility in aqueous 1-methylpiperazine and its blend with 2-amino-2-methyl-1-propanol: New experimental data and leveraging Random Forest model for accurate prediction	20
The artificial neural network-based two-phase equilibrium calculation framework for fast compositional reservoir simulation of CO2 EOR	20
Reliable prediction of crystal density of high nitrogen-containing organic compounds as powerful, less sensitive, eco-friendly energetic materials for dependable assessment of their performance	20
Effects of distribution of charge over the polyelectrolyte chain on the structure and osmotic pressure of salt-free solutions	20
Hydrate phase equilibrium determination and thermodynamic modeling of CO2 + epoxy heterocycle + water systems	20
Effect of the anion in phosphonium-based ionic liquids to recovery efficiently 2-propanol from an azeotropic mixture with water	19
Application of deep neural network (DNN) for experimental liquid-liquid equilibrium data of water + butyric acid + 5-methyl-2-hexanone ternary systems	19
Comparison of the GAFF, OPLSAA and CHARMM27 force field for the reproduction of the thermodynamics properties of furfural, 2-methylfuran, 2,5-dimethylfuran and 5-hydroxymethylfurfural	19
Activated carbon materials with a rich surface chemistry prepared from L-cysteine amino acid	19
Impact of polyethylene glycol molar mass and structural isomer of alcohol on the solubility and dissolution enhancement of mesalazine	19
Physico-chemical and spectroscopic study of some biologically potent molecules in aqueous solution of an anti-malarial drug molecule with reference to diverse molecular interactions simultaneously opt	19
Predicting the equilibrium solubility of CO2 in alcohols, ketones, and glycol ethers: Application of ensemble learning and deep learning approaches	19
Impact of chloride salts on TBAB/Methane and TBAB/Carbon dioxide semiclathrate hydrates: Application to desalination	19
Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a	18
A general predictive methodology for fuel-mixture properties up to supercritical conditions	18
Methane/ethane adsorption behavior in shale nanopore systems with mesopores and micropores: Evaluating micropore contribution	18
Li+−Li+ and Na+−Li+ ion pairs in aqueous solution	18
Determination and modeling of binary solid-liquid equilibria of para-xylene/meta-xylene, para-xylene/ortho-xylene by DSC method	17
A comparison of the CPA equation of state and the Trebble-Bishnoi equation of state for use in correlating methane hydrate formation conditions in the presence of aqueous amino acids	17
A general model for isochoric heat capacity of matter in different states by introducing thermodynamic dimension concept	17
Improving water–hydrocarbon equilibrium calculations using multi objective optimization	17
Precipitation of methionine and ethyl cellulose in carbon dioxide + ethanol + acetic acid systems at high pressures: Phase equilibrium data for the GAS antisolvent process	17
Intermolecular interactions in binary mixtures of formamide and acetone	17
Predictive potentialities of the Quasi-Random Lattice model for electrolyte solutions, discussion and improvement strategies	17
In search of sustainable alternatives for vegetable oils deacidification using oligomeric ionic liquid approach	16
Thermodynamic Analysis of the Absorption of Common Refrigerants in Fluorinated Deep Eutectic Solvents	16
Estimation of solid-liquid coexistence curve for coarse-grained water models through reliable free energy method	16
Application potential of N-hexylpyridinium bromide for separation azeotrope: Thermodynamic properties measurements	16
A Cubic Equation of State with a Repulsion Term	16
Equilibrium phase behavior of ternary systems formed by polyethylene glycol + choline salts + water	16
Solid–liquid equilibria of selected ternary systems containing diphenyl carbonate, alcohol, dialkyl carbonate, and phenol	16
Editorial Board	16
Measurement of the critical temperatures, pressures, and thermal diffusivities of glymes from monoglyme to tetraglyme	15
Exploring hydrophobic eutectic solvents based on raspberry ketone	15
How to account for the concentration dependency of relative permittivity in the Debye–Hückel and Born equations	15
New association schemes for tri-ethylene glycol	15
Prediction of ionic liquids’ speed of sound and isothermal compressibility by chemical structure based machine learning model	15
Investigation of nano-confinement effects on asphaltenic crude oil phase behavior in tight and shale reservoirs: Modeling using CPA-EOS	15
Flash point of binary and ternary mixture of biojet blends: Experimental data and modeling	15
Calculation of water activity in electrolytic solutions using the Electrolattice and Q-Electrolattice equations of state	15

Preface	15
Viscosity measurements of CO2-rich; CO2 + N2 and CO2 + H2 mixtures in gas or supercritical phase at temperatures between 273 and 473 K and pressures up to 8.7 MPa	14
Measurement and modeling of the solubility of α-lactose in water-ethanol electrolyte solutions at	14
Interfacial properties of fast chemical reactions occurring in demixed ternary mixtures	13
Temperature dependence and short-range electrolytic interactions within the e-PPC-SAFT framework	13
Editorial Board	13
Viscosity in simple fluids: A different perspective based on the thermodynamic dimension	13
The deviation from ideal behavior in mixtures of propylene glycol and propylene carbonate at different temperatures: Experimental results and modeling	13
Studies on stable phase equilibria of quaternary system LiBr-NaBr-SrBr2-H2O at 308.15 and 323.15 K	13
Calculation of azeotropic properties for binary mixtures with the PC-SAFT equation of state	13
Molecular simulations for improved process modeling of an acid gas removal unit	13
A step-wise ion hydration model of aqueous electrolyte solution: The 1:1 punch	13
Machine learning coupled with group contribution for predicting the density of deep eutectic solvents	13
Gibbs probability entropy and its implication to combinatorial entropy models	13
Editorial Board	12
New solubility and heat of absorption data for CO2 in blends of 2-amino-2-methyl-1-propanol (AMP) and Piperazine (PZ) and a new eNRTL model representation	12
Theoretical and experimental study of triethanolamine and 1-alkanol mixtures	12
Orientational and steric effects in linear alkanoates + N-Alkane mixtures	12
Viscosity-dependent empirical formula for electrical conductivity of H2	12
Editorial Board	12
Vapor–liquid equilibria (VLE), density, and viscosity of the ternary mixtures of ethane, water, and bitumen at T = 190–210 °C and P = 2.5 MPa—Measurements and CPA-EoS modeling	12
Improved ion-pairing equation of state and its use for various property calculations	12
Co-sorption of volatile components in polymer-based pharmaceutical formulations	12
Novel Green Aqueous Two-Phase Systems (ATPSs) based on choline salts and application to the removal of pharmaceutical pollutants from water	12
CO2 absorption in amino acid-based ionic liquids: Experimental and theoretical studies	12
Phase behavior and pH modelling for ammonia-MEA-water mixtures for corrosion control in water utility applications	12
A reliable model for quick prediction of the melting points of acyclic hydrocarbons	12
Mercury solubility and its modeling in an artificial natural gas at high pressures	12
Experimental and theoretical investigation of CO2 solubility in amine-based deep eutectic solvents	12
A new molecular thermodynamic model of liquid-liquid interfacial tension	12
Preface	12
An activity coefficient model for mixed-solvent electrolyte mixtures based on Gibbs–Duhem’s equation: A case study of mixtures of water, KCl and ethanol	11
“Effect of water and ions on the rheological behavior of a low viscosity ammonium-based ionic liquid”	11
Understanding the solubility behavior of 2,2′-bifuran-5,5′-dicarboxylic acid in different pure solvents	11
Cubic Plus GE (CPGE): Cubic equation of state with simple mixing rule plus excess Gibbs energy that satisfies low-density condition	11
Perspectives on Adsorption. What else? A personal view	11
A prediction method of vapor pressures for pure substances	11
Calculating the closest approach parameter for ethyl lactate-based ATPS	11
Solubility of xylitol in mixtures of water and methanol or ethanol: Experimental measurements and thermodynamic modeling	11
Molecular Interactions of Some Bioactive Molecules Prevalent in Aqueous Ionic Liquid Solutions at Different Temperatures Investigated by Experimental and Computational Contrivance	11
Experimental determination and correlation of naproxen solubility in biodegradable low-toxic betaine-based deep eutectic solvents and water mixtures at 293.15 K to 313.15 K	11
Measurement and model prediction of solid-liquid equilibrium in the ternary system KCl-MgCl2-H2O at 293.15, 298.15, 303.15, and 308.15 K	11
Phase behavior of supercritical CO2 + nonionic ethoxylated surfactants + methanol: Experimental data and modeling with PC-SAFT equation of state	11
Azeotropic behavior of the 2-propanol + water + 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide system	11
Measurement and correlation of the solubility of Hydrogen in Acetophenone and 1-Methylnaphthalene	11
Predicting transport properties of simple fluids using an extended FMSA model and a Mode-Coupling Theory	11
Calculation of the T – X phase diagram of tetradecane + hexadecane and tetradecane + pentadecane under high pressure by the landau mean field theory	11
Measurements and modeling of dimethyl ether (DME) solubility in n-decane and DME-saturated liquid density at T = (293.15–393.15) K and P = (0.345–2.76) MPa	11
Application of the multicomponent Gibbs-Duhem equation for the activity coefficient evaluation of a ternary aqueous solution with an electrolyte and a molecular solute from osmotic coefficient data	10
Phase equilibria and volumetric properties of mixtures of highly fluorinated alcohols and water	10
Generalized Debye–Hückel model for activity coefficients of electrolytes in water–methanol mixtures	10
Editorial Board	10
Solubility of Acetone-Methanol Mixtures in Matrimid Glassy Polymer: Experimental Data and Modelling through NET-GP and PC-SAFT	10
Correlation of phase equilibria for gas hydrates in organic inhibitor aqueous solutions within wide concentration range	10
High-pressure densities of 2-(dimethylamino) ethanol and 2-(diethylamino) ethanol: Measurement and modeling with new modified Tait and PC-SAFT equations of state	10
Aggregates of Ethoxylated Surfactant with Added n-Octanol: Details of Corona Structure from a Molecular-Thermodynamic Model	10
Measurements and predictions of phase equilibria in the quaternary system KBr + MgBr2 + SrBr2 + H2O at 273 K and 308 K	10
Thermodynamics of molecular multicomponent solutions: Evaluation of the partial molar volume at infinite dilution	10
Insight into the ionic atmosphere effect: Comparison of theories for electrolytes at the primitive level	10
Solid-liquid equilibria for ethanol – water – antipyrine and ethanol – water - 4-aminoantipyrine, and their cosolvencies in ethanol – water mixture	10
Probing the energy landscapes and adsorption behavior of asphaltene molecules near the silica surface: Insights from molecular simulations	10
Thermodynamic modeling of aqueous and mixed-solvent alkali chloride solutions using an ion-pairing equation of state	10
Molecular simulation and experimental insights into the separation of dimethyl carbonate and isopropyl alcohol using imidazolium ionic liquids	10
Editorial Board	10
Density gradients in aqueous salt solutions: A challenging calculation for electrolyte equations of state	10
Kinetic modeling of palmitic acid hydrodeoxygenation incorporating phase-equilibria predictions from the GC-PC-SAFT equation of state	10
A group contribution-based machine learning model to estimate the triple-point temperature	9
Effect of cross-sectional geometry, area, and solid-fluid interaction strength on liquid droplets and bridges inside nanopores	9
Insights into molecular interactions gleaned from a lattice-based Helmholtz equation of state	9
Vapor-liquid equilibria of the ternary system of methane + n-decane + n-octacosane at high pressures	9
Effect of promoters on CO2 hydrate formation: thermodynamic assessment and microscale Raman spectroscopy/hydrate crystal morphology characterization analysis	9
Experimental solubility of FeCO3 in aqueous 3–20 wt% KCl at 25–80 °C	9
Modelling phase equilibria of sulphur compounds in mixtures relevant to carbon capture and storage with new association schemes	9
Extension of the eSAFT-VR Mie equation of state from aqueous to non-aqueous electrolyte solutions	9
Modeling solubility of oxygen in ionic liquids: Chemical structure-based Machine Learning Systems Compared to Equations of State	9
PρT measurements of 3-aminopropan-1-ol and N-(2-hydroxyethyl)morpholine from (293.15 to 473.15) K and up to 40 MPa and modeling with modified Tait and PC-SAFT equations	9
Isochoric bubble point data for binary systems of 1 (ethane) in 2 (decane, undecane, dodecane and tridecane)	9
Molecular dynamics simulation of the interaction between ionic liquid [OPy][BF4] and SO2	9
Perspective: Machine Learning of Thermophysical Properties	9
Molecular dynamics simulation of CO2 permeation and separation in Zr-MOF membranes	9

Thermodynamics of mixtures containing amines. XVII. Hm	9
eNRTL modelling and partition of phenolics in the ATPSs {ethyl lactate (1) + potassium sodium tartrate or disodium succinate (2) + water (3)} at 298.2 K and 0.1 MPa	9
Thermodynamically consistent vapor-liquid equilibrium modelling with artificial neural networks	9
Improving the Born equation: Origin of the Born radius and introducing dielectric saturation effects	9
The Absorption Mechanisms of CO2, H2S and CH4 Molecules in [EMIM][SCN] and [EMIM][DCA] Ionic Liquids: A Computational Insight	9
Modelling solution speciation to predict pH and supersaturation for design of batch and continuous organic salt crystallisation processes	9
Systematic evaluation of parameterization approaches for the ePPC-SAFT model for aqueous alkali halide solutions	9
Vapor-liquid equilibria behavior of binary and ternary polymer-polymer alcoholic solutions	9
A semi-empirical vapor pressure equation derived from the van der Waals equation	9
Synthesis of CO2 hydrate capsules in partially water-saturated sediment as vessels for underground mechanical energy storage: Promoting effect of tetrahydrofuran and cyclopentane	9
Molecular cages in supercritical fluids at high pressures	9
Prediction of CO2 solubility in glymes and ionic liquids using modified generalized BWR EoS	9
Fish-shaped diagram of liquid–liquid equilibria for the mixtures water + n-alkane + n-alkyl polyglycol ether	8
Vaporization enthalpy of silanes fluids: A new correlation based on the corresponding states principle	8
Applying SAFT-type models for the anomalous properties of water: Successes and challenges	8
CO2 solubility and absorption rate analysis of a mixed poly(oxymethylene) dimethyl ethers (PODE3–5) solution	8
Empirical correlations for second virial coefficients of associated and quantum fluids covering a wide temperature range	8
Direct measurement of hydrate equilibrium temperature in CO2 and CO2 rich fluids with low water content	8
Self-solvation energies: Extended open database and GNN-based prediction	8
Modeling heat capacity of liquid siloxanes using artificial intelligence methods	8
Uncertainties in the transport properties of helium gas at cryogenic temperatures determined using molecular dynamics simulation	8
Vapor-liquid-liquid equilibria for the water + 1-butanol + CPME mixture	8
Thermodynamic assessment of the LiF BaF2 ZrF4 system	8
A generalized machine learning-assisted phase-equilibrium calculation model for shale reservoirs	8
A prediction model for the binary interaction parameter of PR-VDW to predict thermo-physical properties of CO2 mixtures	8
Phase equilibria and stability boundaries in a two component Lennard-Jones mixture	8
Aqueous mixture viscosities of phenolic deep eutectic solvents	8
Solubility of teriflunomide in supercritical carbon dioxide and co-solvent investigation	8
Editorial Board	8
The kihara potential function parameters of methane, ethane, propane, and i-butane: The effects on clathrate hydrate structure determination	8
Prediction of equilibrium conditions for gas hydrates in the organic inhibitor aqueous solutions using a thermodynamic consistency-based model	8
Thermodynamic modeling of anticancer drugs solubilities in supercritical CO2 using the PC-SAFT equation of state	8
Modeling of thermodynamics properties of amino acid solutions by COSMO-SAC model	8
A solid solution modeling approach somehow analogous to the EoS approach for fluids: Application to equilibria involving fluid phases and solid solutions	8
Preferential solvation in pharmaceutical processing: Rigorous results, critical observations, and the unraveling of some significant modeling pitfalls	8
High-pressure carbon dioxide solubility in a deep eutectic solvent (Choline Chloride/MDEA) + sulfolane—Experimental study and thermodynamic modeling using PC-SAFT equation of state	8
Volatility of boric acid in water: New experimental data below 373.15 K and reassessment of equilibrium constant models	8
Prediction of second order derivative thermodynamic properties of ionic liquids using SAFT-VR Morse equation of state	8
Comparisons of equation of state models for electrolytes: e-CPA and e-PPC-SAFT	8
Group contribution models for densities and heat capacities of deep eutectic solvents	8
On the diffusion of carbamazepine, acetaminophen and atenolol in water: An experimental and theoretical approach	8
Solubility of carbon dioxide in promising methylimidazolium-based ionic liquids	8
The a priori screening of potential organic solvents using artificial neural networks	8
Solubility of hydrogen or oxygen in biomass-derived lipid, carbohydrate and lignin chemicals: From experiments to thermodynamic equilibria modelling	8
An improved branch and bound algorithm for phase stability testing of multicomponent mixtures	8
Chitin extracted from various biomass sources: It's not the same	8
Editorial	7
Implementation of PC-SAFT for Predicting thermodynamic properties of pure refrigerants and vapor-liquid equilibria of refrigerants binary mixtures.	7
Influence of the temperature and type of macromolecule on phase diagrams of aqueous two-phase systems	7
High-pressure phase behavior of the quaternary system (carbon dioxide + dichloromethane + ε‒caprolactone + poly(ε‒caprolactone): Experimental data and PC-SAFT modeling	7
Water absorption in aliphatic polyamide mixtures	7
Bulk recovery and purification of vinyl chloride/nitrogen mixtures by MT-TPVSA using activated carbon carbotech DGK	7
Asphaltene precipitation described with a Yukawa SAFT-VR/MSA equation of state	7
Editorial Board	7
Nitrogen and oxygen solubilities in vinyl monomer, cross-linker and ester, whose molecular structure is similar to that of methyl methacrylate	7
Zavitsas’ hydration model for electrolytes only stable in the presence of another: NaAl(OH)4 in aqueous NaOH solution	7
Density, viscosity, and CO2 solubility of deep eutectic solvents comprising tetrabutylammonium or phosphonium bromide and ethylene glycol	7
Linear orthobaric-density approach to the Krichevskii parameter of a solute from its vapor-liquid distribution coefficient: What can we learn about its accuracy from systems whose precise behavior is	7
Editorial Board	7
Vapor-liquid equilibrium measurements for the binary mixtures of 1,1-difluoroethane (R152a) with trans-1,3,3,3-tetrafluoropropene (R1234ze(E)) and 3,3,3-trifluoropropene (R1243zf)	7
A predictive group-contribution framework for the thermodynamic modelling of CO	7
Hydrate phase equilibrium of hydrogen-natural gas blends: Experimental study and thermodynamic modeling	7
Measurements of the molecular diffusion coefficient of dimethyl ether (DME) in n-decane and DME-saturated liquid viscosity at T= (293.15 – 393.15) K and P= (0.345 – 2.76) MPa	7
Measurement and correlation of the vapor-liquid equilibria related to the extraction of phenols from tar with mono-ethanolamine	7
A comparative study of COSMO-based and equation-of-state approaches for the prediction of solvation energies based on the compsol databank	7
Determining state points through the radial distribution function of Yukawa fluids at equilibrium	7
Adsorption properties of ion-exchanged SSZ-13 zeolite for ethylene/ethane separation	7
Solvent selection for chemical reactions toward optimal thermodynamic and kinetic performances: Group contribution and COSMO-based modeling	7
The experimental study on the (solid + liquid) phase Equilibria for {LiBr (1) + ionic liquid (2) + water (3)} systems	7
Editorial Board	7
Editorial Board	7
Assessment of bio-ionic liquids as promising solvents in industrial separation processes: Computational screening using COSMO-RS method	7
Self-diffusion coefficients of amines, a molecular dynamics study	7
Influence of excipients on solubility of oxcarbazepine: Modeling and prediction based on thermodynamic models	7
Effect of particle size, water saturation, inorganic salt and methane on the phase equilibrium of CO2 hydrates in sediments	7
High pressure phase behavior and thermodynamic modeling of the carbon dioxide + chloroform + globalide system	7
Carbon dioxide solubility in aqueous N-Methylpyrrolidone solution	7
Editorial Board	7
Experimental measurement and thermodynamic modeling of hydrate stability conditions in the methane + cyclopentane + tetra-n‑butyl ammonium chloride (TBAC) aqueous solution system	7
Determination of clathrate hydrates dissociation conditions in aqueous solutions of methanol and salt using the e-NRTL based model	7
Optimized critical parameters for n-alkanes up to C100 for reliable multiphase behavior of hydrocarbon mixture using SRK EOS	7