Fluid Phase Equilibria

Article	Citations
New insights and updated correlations for density, viscosity, refractive index, and associated properties of aqueous 4-diethyl-amino-2-butanol solution	74
The SAFT-VR Morse equation of state for liquid alkali metals	65
Preface of ESAT 2021	57
Isothermal vapor-liquid equilibria for binary liquid mixtures of ethylmercaptan and propylmercaptan with some common solvents	55
Measurements of the PρT data of liquids Poly ethylene glycol 200 and Poly ethylene glycol 300 from (293.15 to 473.15) K and up to 40 MPa: Correlating and modelling using the modified Tammann-Tait and	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	38
Calculation of liquid Cp of pure compounds using an improved thermodynamic model based on group contributions and artificial neural networks	38
Phase equilibrium data and thermodynamic modeling of systems involving 2-methyltetrahydrofuran-3-one, carbon dioxide and glucose	36
Experimental study and molecular dynamics modelling of R1270 and R1234ze(E) with polyvinyl ether	34
Phase equilibria and crystallographic structure of clathrate hydrate formed with carbon dioxide and cyclohexanone	33
Dielectric constant prediction of pure organic liquids and their mixtures with water based on interpretable machine learning	33
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	33
Theoretical considerations on single and mixed solvent electrolyte solutions	31
Molecular dynamics simulations and experimental measurements of density and viscosity of phase change material based on stearic acid with graphene nanoplatelets	31
Application of Pathfinder, Honey Badger, Red Fox and Horse Herd algorithms to phase equilibria and stability problems	30
Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts	30
Molecular dynamics simulation of the effect of alkyl side chain length on the mixture of imidazolium-based ionic liquids and water	30
Thermodynamic modeling CO2 absorption in semi-aqueous monoethanolamine with N-methyl-2-pyrrolidone using electrolyte NRTL model	28
Drying kinetics of polymer-based pharmaceutical formulations	28
Thermophysical properties of the SPC/E model of water between 250 and 400 K at pressures up to 1000 MPa	28
Measurement of the critical temperatures, pressures, heat capacities, and thermal diffusivities of four furanic compounds involved in the production of second-generation biofuels	27
SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients	27
A bayesian deep learning-based approach to group contribution methods: A study on cannabinoids and terpenes	27
Experimental measurement and prediction of thermal conductivity of fatty acid ethyl esters: ethyl butyrate and ethyl caproate	24
Integrated experimental and theoretical investigation of hydrogen absorption and desorption in ZrMn2 compounds	24

Phase behavior of CO2/Organic Solvent/Poly(ethylene glycol) ternary systems	24
A simple correlation for reliable prediction of intrinsic viscosity (limiting viscosity number) of different polymer-solvent combinations	24
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	24
Ternary Liquid – Liquid and Binary Liquid – Liquid, Solid – Liquid, and Vapour – Liquid equilibria of systems containing ε-Caprolactam, Water, n-Hexadecane, and o-Xylene	24
The artificial neural network-based two-phase equilibrium calculation framework for fast compositional reservoir simulation of CO2 EOR	23
Experimental vapor-liquid equilibria of pure compounds and binary systems (furfural + γ-valerolactone or γ-butyrolactone) and (5-methylfurfural + γ-valerolactone or γ-butyrolactone) encountered in bio	23
Effect of the anion in phosphonium-based ionic liquids to recovery efficiently 2-propanol from an azeotropic mixture with water	23
Activated carbon materials with a rich surface chemistry prepared from L-cysteine amino acid	23
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	23
Impact of chloride salts on TBAB/Methane and TBAB/Carbon dioxide semiclathrate hydrates: Application to desalination	22
Impact of polyethylene glycol molar mass and structural isomer of alcohol on the solubility and dissolution enhancement of mesalazine	21
A classification of phase envelopes for reservoir fluids with asphaltene onset lines: Exploring topology transitions based on compositional changes	21
Effects of distribution of charge over the polyelectrolyte chain on the structure and osmotic pressure of salt-free solutions	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	21
PC-SAFT-TS-CAF: a revised two state model for pure water and binary aqueous mixtures	20
MEAM potential optimization and vapor-liquid equilibrium modeling for Pb-Au and Pb-Sn alloys	20
Can MOF — Isobutane integration enhance adsorption refrigeration cycle? An accelerated approach using active learning and Monte Carlo simulations	19
High purity carbon dioxide captured with guanidinium sulfate clathrate from carbon dioxide/hydrogen mixtures	19
High-pressure phase equilibrium data of carbon dioxide/food-relevant systems (2011-2022): Experimental methods, multiphase behavior, thermodynamic modeling, and applications	19
Predicting the equilibrium solubility of CO2 in alcohols, ketones, and glycol ethers: Application of ensemble learning and deep learning approaches	19
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	18
Thermodynamic modeling and parameter estimability analysis of a wet phosphoric acid process with impurities	18
Speed-of-sound measurements in liquid n-heptane and 2,2,4-trimethylpentane (isooctane)	18
Editorial Board	18
Improving water–hydrocarbon equilibrium calculations using multi objective optimization	17
Methane/ethane adsorption behavior in shale nanopore systems with mesopores and micropores: Evaluating micropore contribution	17
Predictive potentialities of the Quasi-Random Lattice model for electrolyte solutions, discussion and improvement strategies	17
Editorial Board	17
Solid–liquid equilibria of selected ternary systems containing diphenyl carbonate, alcohol, dialkyl carbonate, and phenol	17
Modeling of interfacial phenomena in disperse liquid-liquid systems	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
Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a	17
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 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	16
Intermolecular interactions in binary mixtures of formamide and acetone	16
Li+−Li+ and Na+−Li+ ion pairs in aqueous solution	15
Thermodynamic properties of some aqueous ionic liquid solutions using ion-SAFT-VR EOS	15
Modeling the solubility of iron oxides in wide temperature ranges: thermodynamic foundation for understanding flow-accelerated corrosion	15
A Cubic Equation of State with a Repulsion Term	15
Equilibrium phase behavior of ternary systems formed by polyethylene glycol + choline salts + water	15
Flash point of binary and ternary mixture of biojet blends: Experimental data and modeling	15
Investigation of nano-confinement effects on asphaltenic crude oil phase behavior in tight and shale reservoirs: Modeling using CPA-EOS	15
Weak salting-out of H2 gas from aqueous NaCl solutions confined in kaolinite nanopores	15
How to account for the concentration dependency of relative permittivity in the Debye–Hückel and Born equations	15
Thermodynamic Analysis of the Absorption of Common Refrigerants in Fluorinated Deep Eutectic Solvents	15
A general predictive methodology for fuel-mixture properties up to supercritical conditions	15
The deviation from ideal behavior in mixtures of propylene glycol and propylene carbonate at different temperatures: Experimental results and modeling	14
Temperature dependence and short-range electrolytic interactions within the e-PPC-SAFT framework	14
A deep investigation of neo-pentane freeze-out in methane	14

Calculation of water activity in electrolytic solutions using the Electrolattice and Q-Electrolattice equations of state	14
Preface	14
Molecular simulations for improved process modeling of an acid gas removal unit	14
Interfacial properties of fast chemical reactions occurring in demixed ternary mixtures	14
Prediction of ionic liquids’ speed of sound and isothermal compressibility by chemical structure based machine learning model	14
The CO2 + 2,3,4-trimethylpentane and CO2 + 2,2,4,6,6-pentamethylheptane binary systems: high–pressure phase equilibria measurements	13
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	13
Solubility of water in bitumen	13
Measurement of the critical temperatures, pressures, and thermal diffusivities of glymes from monoglyme to tetraglyme	13
Solubility, solvent effects, correlation, and thermodynamic properties of glutaric anhydride in ten individual organic solvents from 278.15 to 313.15 K	13
A step-wise ion hydration model of aqueous electrolyte solution: The 1:1 punch	13
Editorial Board	13
Machine learning coupled with group contribution for predicting the density of deep eutectic solvents	13
Exploring hydrophobic eutectic solvents based on raspberry ketone	13
A reliable model for quick prediction of the melting points of acyclic hydrocarbons	12
Editorial Board	12
Surface-tension modeling of pure fluids using the gradient theory coupled with a cubic EoS	12
Viscosity in simple fluids: A different perspective based on the thermodynamic dimension	12
Gibbs probability entropy and its implication to combinatorial entropy models	12
Editorial Board	12
Calculation of azeotropic properties for binary mixtures with the PC-SAFT equation of state	12
Orientational and steric effects in linear alkanoates + N-Alkane mixtures	12
Improved ion-pairing equation of state and its use for various property calculations	12
Novel Green Aqueous Two-Phase Systems (ATPSs) based on choline salts and application to the removal of pharmaceutical pollutants from water	12
Measurements and modeling of vapor–liquid equilibrium for ternary mixtures of R290+R1234ze(E)+CO2	12
A new molecular thermodynamic model of liquid-liquid interfacial tension	12
Theoretical and experimental study of triethanolamine and 1-alkanol mixtures	12
Solubility of TEG, MEG, and MeOH in CO2: Improving CPA EoS modelling for CCS transport applications	12
Experimental and theoretical investigation of CO2 solubility in amine-based deep eutectic solvents	12
Density, viscosity, and CO2 solubility properties of solvents composed of tetrabutylammonium bromide and carboxylic acids	11
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
Molecular Interactions of Some Bioactive Molecules Prevalent in Aqueous Ionic Liquid Solutions at Different Temperatures Investigated by Experimental and Computational Contrivance	11
Prediction of the density of aqueous electrolyte solutions with matrix completion methods	11
Cubic Plus GE (CPGE): Cubic equation of state with simple mixing rule plus excess Gibbs energy that satisfies low-density condition	11
Editorial Board	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
Preface	11
Understanding the solubility behavior of 2,2′-bifuran-5,5′-dicarboxylic acid in different pure solvents	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
Predicting transport properties of simple fluids using an extended FMSA model and a Mode-Coupling 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
Perspectives on Adsorption. What else? A personal view	11
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	11
Co-sorption of volatile components in polymer-based pharmaceutical formulations	11
Calculation of the T – X phase diagram of tetradecane + hexadecane and tetradecane + pentadecane under high pressure by the landau mean field theory	11
Azeotropic behavior of the 2-propanol + water + 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide system	11
Phase equilibria and volumetric properties of mixtures of highly fluorinated alcohols and water	11
Solubility of xylitol in mixtures of water and methanol or ethanol: Experimental measurements and thermodynamic modeling	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	11
Phase behavior of supercritical CO2 + nonionic ethoxylated surfactants + methanol: Experimental data and modeling with PC-SAFT equation of state	11
A prediction method of vapor pressures for pure substances	11
Thermodynamic modeling of aqueous and mixed-solvent alkali chloride solutions using an ion-pairing equation of state	11
Accuracy and Limitations of PC-SAFT and NRTL in Modelling VLE and LLE of Furfural-Derived Mixtures	11
Mercury solubility and its modeling in an artificial natural gas at high pressures	11
High-pressure densities of 2-(dimethylamino) ethanol and 2-(diethylamino) ethanol: Measurement and modeling with new modified Tait and PC-SAFT equations of state	11
Measurement and correlation of the solubility of Hydrogen in Acetophenone and 1-Methylnaphthalene	11
Vapor-liquid equilibria behavior of binary and ternary polymer-polymer alcoholic solutions	10
Correlation of phase equilibria for gas hydrates in organic inhibitor aqueous solutions within wide concentration range	10
Preface	10
Systematic evaluation of parameterization approaches for the ePPC-SAFT model for aqueous alkali halide solutions	10
Generalized Debye–Hückel model for activity coefficients of electrolytes in water–methanol mixtures	10
Solid-liquid equilibria for ethanol – water – antipyrine and ethanol – water - 4-aminoantipyrine, and their cosolvencies in ethanol – water mixture	10
Measurements and predictions of phase equilibria in the quaternary system KBr + MgBr2 + SrBr2 + H2O at 273 K and 308 K	10
Density gradients in aqueous salt solutions: A challenging calculation for electrolyte equations of state	10
Experimental solubility of FeCO3 in aqueous 3–20 wt% KCl at 25–80 °C	10
Modelling phase equilibria of sulphur compounds in mixtures relevant to carbon capture and storage with new association schemes	10
Thermodynamic description of aqueous solutions of silver nitrate: Experimental and modeling	10
Kinetic modeling of palmitic acid hydrodeoxygenation incorporating phase-equilibria predictions from the GC-PC-SAFT equation of state	10
Editorial Board	10
Insight into the ionic atmosphere effect: Comparison of theories for electrolytes at the primitive level	10
Vapor-liquid equilibria of the ternary system of methane + n-decane + n-octacosane at high pressures	10
Molecular simulation and experimental insights into the separation of dimethyl carbonate and isopropyl alcohol using imidazolium ionic liquids	10
Evaluation of the effect of segment diameter and combining rules in eSAFT-VR Mie modeling of aqueous electrolyte solutions	10
Preface to the Special Issue on the XII Brazilian Conference on Applied Thermodynamics (CBTermo)	10
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
Synthesis of CO2 hydrate capsules in partially water-saturated sediment as vessels for underground mechanical energy storage: Promoting effect of tetrahydrofuran and cyclopentane	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
Modelling solution speciation to predict pH and supersaturation for design of batch and continuous organic salt crystallisation processes	9
Redistribution of hydrocarbon and water within graphene mesopores under an external electric field: Evidences from molecular dynamics simulations	9

Modeling solubility of oxygen in ionic liquids: Chemical structure-based Machine Learning Systems Compared to Equations of State	9
Thermodynamically consistent vapor-liquid equilibrium modelling with artificial neural networks	9
Molecular cages in supercritical fluids at high pressures	9
Isochoric bubble point data for binary systems of 1 (ethane) in 2 (decane, undecane, dodecane and tridecane)	9
Water content in pure CO2 and CO2-rich mixtures using the DSH analytical technique	9
Molecular dynamics simulation of CO2 permeation and separation in Zr-MOF membranes	9
Thermodynamics of molecular multicomponent solutions: Evaluation of the partial molar volume at infinite dilution	9
Prediction of CO2 solubility in glymes and ionic liquids using modified generalized BWR EoS	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
Solid-liquid equilibrium of binary mixtures of triacylglycerols and fatty acids/alcohols	9
Terpenoids as solvents for the separation of 2,3-butanediol from water: Phase equilibria and process evaluation	9
Pressure and temperature dependent UNIQUAC model for methanol - water mixtures	9
Thermodynamics of mixtures containing amines. XVII. HmE and VmE measurements for benzylamine + heptane or + 1-alkanol mixtures at 298.15 K. Application of the DISQUAC and ERAS models	9
Science-guided transfer learning for molecular dynamics of confined fluids in shale nanopores	9
Solubility of Acetone-Methanol Mixtures in Matrimid Glassy Polymer: Experimental Data and Modelling through NET-GP and PC-SAFT	9
A group contribution-based machine learning model to estimate the triple-point temperature	9
Molecular dynamics simulation of the interaction between ionic liquid [OPy][BF4] and SO2	9
Thermodynamic assessment of the LiF BaF2 ZrF4 system	9
Probing the energy landscapes and adsorption behavior of asphaltene molecules near the silica surface: Insights from molecular simulations	9
Extension of the eSAFT-VR Mie equation of state from aqueous to non-aqueous electrolyte solutions	9
High-pressure phase equilibria of liquid CO2 with ethanol - water mixtures	9
Experimental and theoretical study on ion association in [Hmim][halide] + methanol/dimethyl sulfoxide mixtures	8
Editorial Board	8
On the diffusion of carbamazepine, acetaminophen and atenolol in water: An experimental and theoretical approach	8
Vapor-liquid-liquid equilibria for the water + 1-butanol + CPME mixture	8
Applying SAFT-type models for the anomalous properties of water: Successes and challenges	8
Comparisons of equation of state models for electrolytes: e-CPA and e-PPC-SAFT	8
Fish-shaped diagram of liquid–liquid equilibria for the mixtures water + n-alkane + n-alkyl polyglycol ether	8
Adsorption of tetracycline using aspartic acid and polypyrrole-functionalized multiwalled carbon nanotubes: Kinetic, isotherm, and thermodynamic analysis	8
Solubility of hydrogen or oxygen in biomass-derived lipid, carbohydrate and lignin chemicals: From experiments to thermodynamic equilibria modelling	8
Volatility of boric acid in water: New experimental data below 373.15 K and reassessment of equilibrium constant models	8
Motility-induced phase separations in confined active particle systems	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
Solubility of nifedipine in twenty-one mono-solvents at various temperatures	8
Phase equilibria and stability boundaries in a two component Lennard-Jones mixture	8
Self-solvation energies: Extended open database and GNN-based prediction	8
Solubility of teriflunomide in supercritical carbon dioxide and co-solvent investigation	8
Solubility of carbon dioxide in promising methylimidazolium-based ionic liquids	8
Uncertainties in the transport properties of helium gas at cryogenic temperatures determined using molecular dynamics simulation	8
Group contribution models for densities and heat capacities of deep eutectic solvents	8
Development of equation of state for a double square-well fluid	8
A generalized machine learning-assisted phase-equilibrium calculation model for shale reservoirs	8
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	8
Thermodynamic modeling of anticancer drugs solubilities in supercritical CO2 using the PC-SAFT equation of state	8
The a priori screening of potential organic solvents using artificial neural networks	8
A prediction model for the binary interaction parameter of PR-VDW to predict thermo-physical properties of CO2 mixtures	8
A molecular simulation study on solubility of elemental sulfur in hydrogen sulfide confined in calcite nanopores	8
Modeling study on the density and viscosity of ionic liquid-ionic liquid-water ternary mixtures	8
CO2 solubility and absorption rate analysis of a mixed poly(oxymethylene) dimethyl ethers (PODE3–5) solution	8
An improved branch and bound algorithm for phase stability testing of multicomponent mixtures	8
Editorial Board	8
Modeling heat capacity of liquid siloxanes using artificial intelligence methods	8
New initialization procedures from phase stability testing in three-phase flash calculations for CO2-hydrocarbon mixtures	8
The kihara potential function parameters of methane, ethane, propane, and i-butane: The effects on clathrate hydrate structure determination	8
Influence of excipients on solubility of oxcarbazepine: Modeling and prediction based on thermodynamic models	7
Determining state points through the radial distribution function of Yukawa fluids at equilibrium	7
Choline chloride aqueous solution: A thermophysical study	7
Editorial for Ralf Dohrn Festschrift	7
Editorial Board	7
High pressure phase behavior and thermodynamic modeling of the carbon dioxide + chloroform + globalide system	7
Thermodynamic modeling using extended UNIQUAC and COSMO-RS-ES models: Case study of the cesium nitrate-water system over a large range of temperatures	7
Editorial Board	7
The experimental study on the (solid + liquid) phase Equilibria for {LiBr (1) + ionic liquid (2) + water (3)} systems	7
Solvent selection for chemical reactions toward optimal thermodynamic and kinetic performances: Group contribution and COSMO-based modeling	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
Influence of the temperature and type of macromolecule on phase diagrams of aqueous two-phase systems	7
How reliable is the Real Adsorbed Solution Theory (RAST) for estimating ternary mixture equilibrium in microporous host materials?	7
Water absorption in aliphatic polyamide mixtures	7
Graph neural networks embedded into Margules model for vapor–liquid equilibria prediction	7
Nitrogen and oxygen solubilities in vinyl monomer, cross-linker and ester, whose molecular structure is similar to that of methyl methacrylate	7
Bulk recovery and purification of vinyl chloride/nitrogen mixtures by MT-TPVSA using activated carbon carbotech DGK	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
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
An efficient, robust and reliable initialization of phase fractions in Rachford-Rice system of equations for three-phase split calculation	7
Effect of acids produced by the dissolution of sulfur and nitrogen oxides in the performance of MEA solvent in CO2 capture: Experimental results and modeling	7