Fluid Phase Equilibria

Papers
(The TQCC of Fluid Phase Equilibria is 6. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-04-01 to 2025-04-01.)
ArticleCitations
Liquid viscosity, interfacial tension, thermal diffusivity and mutual diffusivity of n-Tetradecane with dissolved carbon dioxide80
Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study73
Empirical correlations for second virial coefficients of nonpolar and polar fluids covering a wide temperature range50
Extension of the Constantinou and Gani group contribution method with the Tochigi method through an automatic conversion procedure47
Improvement of augmented free-water flash algorithm based on HV mixing rule and simulated annealing optimization algorithm47
Study on the dissociation conditions of methane hydrate in silty-clayey sediments46
Unified thermodynamic modelling of diffusion and thermodiffusion coefficients42
Hydrophobic interactions described using hetero-segmented PC-SAFT: 1. Alcohol/water mixtures39
Experimental measurements and thermodynamic modeling of hydrate dissociation conditions for CO2 + THF + MgCl2 + water systems39
Modelling of pure refrigerant thermodynamic properties and vapor-liquid equilibrium of refrigerant mixtures with the UMR-PRU model38
Dielectric constant prediction of pure organic liquids and their mixtures with water based on interpretable machine learning37
Extension of SAFT-γ to model the phase behavior of CO2+ionic liquid systems34
Molecular dynamics simulation of methane hydrates: Prediction of the phase equilibria using extracted microscopic parameters from SAFT-VR Mie EOS32
Modeling the temperature-dependent solubility of salts in organic solvents32
Isothermal vapor-liquid equilibria for binary liquid mixtures of ethylmercaptan and propylmercaptan with some common solvents32
Experimental study on the effect of decomposition induction on the replacement process of CO2CH4 hydrate in hydrate-bearing sediments below the freezing point30
Measurement and modelling of the interfacial tensions of CO2 + decane-iododecane mixtures at high pressures and temperatures29
Automated generation of isoplethic phase diagrams for fluid binary systems from equations of state29
Theoretical considerations on single and mixed solvent electrolyte solutions28
Vapor-liquid-liquid equilibrium (VLLE), density, and viscosity of the ternary mixtures of normal hexane, water and bitumen at T=185–210°C and at P= 2.5 MPa27
Development of a New Group Contribution Equation of State for associating compounds26
Vapor-liquid equilibria for the CO2 + trimethoxymethylsilane and CO2 + triethoxymethylsilane systems under high-pressure conditions26
Experimental screening of ionic liquids as mass agents in the n-hexane/1-hexene extractive distillation25
Thermophysical properties of the SPC/E model of water between 250 and 400 K at pressures up to 1000 MPa25
Sublimation thermodynamics of antifungal drugs: Tioconazole, miconazole and climbazole25
A two-phase flash algorithm for confined fluids considering the effect of pore radius and cross-sectional shape at specified volume and temperature24
Thermodynamics of molecular multicomponent solutions: Evaluation of the partial molar volume at infinite dilution24
Simultaneous correlation of liquid-liquid equilibria for ternary systems and phase equilibria for constituent binary systems by modified new activity coefficient model22
A critical review of experimental methods, data, and predictions of water content22
Investigation of thermodynamic properties of Amine Modified Polystyrene and its use for separation of isomers21
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 systems21
Phase equilibrium data and thermodynamic modeling of systems involving 2-methyltetrahydrofuran-3-one, carbon dioxide and glucose21
Thermal conductivity measurements for n-nonane and n-undecane at elevated temperature and pressure21
Preface of ESAT 202119
Estimation of Flory–Huggins interaction parameters and miscibility gaps in poly(sodium 4-styrenesulfonate) - water - 1,4-butanediol mixtures via linearized cloud point curve correlations19
Editorial Board19
Towards a predictive Cubic Plus Association equation of state19
Development of mean isosteric heat activity coefficient model for the prediction of multicomponent liquid phase adsorption equilibria18
A new extension for local composition model – From theory to Equation of State18
PρT and liquid-gas phase transition properties (P18
Editorial Board18
Estimation of a eutectic composition of imidazolium chloride ionic liquids using video imaging and impedance methods18
A non-iterative vapor-liquid split calculation in isothermal flash problem18
Introducing hydrogen bonding term to the Patel-Teja viscosity equation of state for hydrochlorofluorocarbons, hydrofluorocarbons and hydrofluoroolefins17
Vapor liquid equilibrium of pure and aqueous Methyl diethanolamine (MDEA), 2-Dimethylmonoethanolamine (DMMEA), N-Methylmonoethanolamine (MMEA) and 1-(2-Aminoethyl)piperazine (AEP): Experimental result17
An equation of state based on the intermolecular potential and the radial distribution function to estimate the virial coefficients by using PvT chaotic data17
Solid–liquid equilibrium, density and electrical conductivity data for water + monoethylene glycol + calcium chloride mixtures17
Solid-liquid equilibria for ethanol – water – antipyrine and ethanol – water - 4-aminoantipyrine, and their cosolvencies in ethanol – water mixture17
Editorial Board17
Editorial Board17
Vapor-liquid equilibria behavior of binary and ternary polymer-polymer alcoholic solutions16
Models of a thermodynamic potential for molecular interactions in the fluid phase16
Editorial Board16
50 years of Soave Equation of State (SRK): A source of inspiration for chemical engineers16
Importance of critical point for the phase behavior of a reservoir fluid16
Solution of the Rachford Rice equation using perturbation analysis16
Editorial Board16
Scientific publications and data evaluation in the digital age (a perspective of a thermodynamics researcher)16
Group contribution methods to predict enthalpy of vaporization of aromatic and terpene ketones at 298.15 K16
Systematic evaluation of parameterization approaches for the ePPC-SAFT model for aqueous alkali halide solutions. II. Alkali bromides, iodides, fluorides, and lithium halides15
Phase behavior of system carbon dioxide + hydrogen sulfide15
A machine learning technique based on group contributions to calculate the solubility of dye molecules in supercritical CO215
Prediction of azeotropes position of refrigerant mixtures using the PHSC EoS15
Composing homologous series on demand15
Delineation of the effective viscosity controls of diluted polymer solutions at various flow regimes15
Liquid−vapor order parameter and coexistence-curve diameter of nitrogen, ethylene, and sulfur hexafluoride: From the triple point to the critical scaling regime15
Molecular dynamics simulation of the effect of alkyl side chain length on the mixture of imidazolium-based ionic liquids and water15
Effect of guest-dependent reference hydrate vapor pressure in thermodynamic modeling of gas hydrate phase equilibria, with various combinations of equations of state and activity coefficient models15
Professor Michelsen’s impact on physical property prediction at Linde engineering and ideas for future directions15
Thermodynamics and activity coefficients at infinite dilution for organic compounds in ionic liquid 1-ethyl-2,3-dimethylimidazolium thiocyanate15
Computation and analysis of reactive isopleths involving fluid phases15
Ethane (1) -Water (2) Solubility Modeling and New Water Content Measurements of Liquid Ethane in Equilibrium with Water and Hydrates15
Molecular insights into methane hydrate dissociation under confinement in a hydrophilic silica nanopore14
Prediction of the volumetric and vapor-liquid equilibrium properties of CO2-N2-O2-Ar fluid mixtures with a general Helmholtz equation of state14
Determination of diffusion coefficients from constant volume diffusion tests through numerical simulation14
Kinetic modeling of palmitic acid hydrodeoxygenation incorporating phase-equilibria predictions from the GC-PC-SAFT equation of state14
Theoretical and experimental study of molecular interactions between constituents of deep eutectic solvents14
Thermodynamic modeling of gas hydrate phase equilibrium conditions in porous media in the presence of inhibitor solution14
Pre-screening of an eco-friendly solvent for separating industrial mixtures: A useful tool for solvent selection14
Modelling phase equilibria of sulphur compounds in mixtures relevant to carbon capture and storage with new association schemes14
Molecular dynamics simulation of CO2 permeation and separation in Zr-MOF membranes14
Correlation of phase equilibria for gas hydrates in organic inhibitor aqueous solutions within wide concentration range13
Probing the energy landscapes and adsorption behavior of asphaltene molecules near the silica surface: Insights from molecular simulations13
Isobaric vapor-liquid equilibrium for ethanol/water and binary linear siloxane mixtures at 100 kPa13
Resurrection of Hückel’s idea: Decoupling ion–ion and ion–water terms in activity coefficients via the state-dependent dielectric constant13
High pressure phase behaviour of ternary systems containing CO2 + fatty acid methyl esters13
Molecular simulation and experimental insights into the separation of dimethyl carbonate and isopropyl alcohol using imidazolium ionic liquids13
What is the correct interfacial tension between methane and water at high-pressure/high-temperature conditions?13
Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts13
Solubility of seven amino acids in two acetate ionic liquids from 298.15 K to 328.15 K12
Generalized Debye–Hückel model for activity coefficients of electrolytes in water–methanol mixtures12
Phase equilibria and volumetric and viscosity behavior of the aqueous double salt ionic liquid [EMIM][SCN] [MeSO3](1-)12
Beyond activity coefficients with pairwise interacting surface (COSMO-type) models12
Measurements and predictions of phase equilibria in the quaternary system KBr + MgBr2 + SrBr2 + H2O at 273 K and 308 K12
Parameterization of a RTPT Association Activity Coefficient Model using Spectroscopic Data12
Specific Interactions in the Model of Mixed Multicomponent Micelles: Predicting Aggregation Behavior and Details of Structure12
Correlation and prediction of thermodynamic properties of dilute solutes in water up to high T and P. IV. Simple fluids He, Ne, Ar, Kr, Xe, Rn, H2, N2, O2, CO, CH4 - Re-parametrization12
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 systems12
Phase equilibrium calculations at low and high pressures with a modified COSMO-SAC model11
Binodal and spinodal curves of ternary systems containing lignin using the NRTL and UNIQUAC models11
Thermodynamics of mixtures containing amines. XVII. Hm11
Thermodynamic insights into H2O-D2O separation via gas hydrate formation with HFC134a11
Aggregates of Ethoxylated Surfactant with Added n-Octanol: Details of Corona Structure from a Molecular-Thermodynamic Model11
Computation of drug solvation free energy in supercritical CO2: Al11
Molecular dynamics simulations of structures, dynamics, competitive interaction mechanisms for CH4, CO2, and SO2 in ionic liquid mixtures of [Cnmim][Nf2T] and [Cnmim][BF4]11
Vapor-liquid equilibria of the ternary system of methane + n-decane + n-octacosane at high pressures11
Experimental data and thermodynamic modeling for n-propane + Brazil nut oil at high pressures11
Systematic evaluation of parameterization approaches for the ePPC-SAFT model for aqueous alkali halide solutions11
Solubility of formaldehyde in mixtures of water + methanol + poly(oxymethylene) dimethyl ethers11
3.Al-Based Metal-Organic Framework MFM-300 and MIL-160 for SO2 Capture: A Molecular Simulation Study11
New insights and updated correlations for density, viscosity, refractive index, and associated properties of aqueous 4-diethyl-amino-2-butanol solution11
Experimental and modelling of the vapor-liquid equilibria of [C mim]Br(n = 2, 3, 4) + H2O systems11
Investigation of the physicochemical and thermodynamic characteristics of imidazole ionic liquids with water and ethanol mixtures11
Natural gas hydrate stability conditions and water activity in aqueous solutions containing mono ethylene glycol (MEG) and salt: Experimental measurements and thermodynamic modeling11
SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients11
Non-saturated mixture densities of the binary systems of carbon dioxide and the organic solvents ethanol, acetone, acetonitrile and dimethyl sulfoxide from 6-12 MPa11
A generalized isobaric specific heat capacity model for hydrocarbons, hydrofluorocarbons, hydrofluoroolefins and their mixtures in the liquid phase11
High-pressure phase equilibria of carbon dioxide + 1,4-dioxane binary system11
Phase equilibria of the reciprocal quaternary system (Li+, NH4+//Cl−, SO42−-H2O) at 288.15 K11
Calculation of liquid Cp of pure compounds using an improved thermodynamic model based on group contributions and artificial neural networks11
Modelling mixtures of ammonium and pyridinium-based ionic liquids and carbon dioxide with the Cubic Plus Association Equation of state10
Group-contribution SAFT equations of state: A review10
The SAFT-VR Morse equation of state for liquid alkali metals10
Extrapolating into no man’s land enables accurate estimation of surface properties with multiparameter equations of state10
Feedforward and cascade forward networks for viscosity prediction for binary mixtures of ammonium-based ionic liquids and water10
Modelling phase equilibria in the CO2/CH4-H2O-NaCl system using the association equation of state10
Effect of promoters on CO2 hydrate formation: thermodynamic assessment and microscale Raman spectroscopy/hydrate crystal morphology characterization analysis10
Comprehensive modelling strategy for gas transport in polymers: Analysis of swelling and non-swelling agents at high pressures10
Thermodynamic modeling of double azeotropy systems10
Insight into the ionic atmosphere effect: Comparison of theories for electrolytes at the primitive level10
Experimental solubility of FeCO3 in aqueous 3–20 wt% KCl at 25–80 °C10
Patel-Teja cubic equation of state – A review of modifications and applications till 202210
Structure and dynamics of thymol - fatty acids based deep eutectic solvent investigated by molecular dynamics simulation10
Impact of extended long-range electrostatics on the correlation of liquid-liquid equilibria in aqueous ionic liquid systems10
A molecular simulation study of ethoxylated surfactant effects on bulk and water/crude-oil interfacial asphaltenes10
Predicting the ionicity of ionic liquids in binary mixtures based on solubility data: II9
Experimental measurements and correlation of vapor–liquid equilibrium data for the difluoromethane (R32) + 1,3,3,3-tetrafluoropropene (R1234ze(E)) binary system from 254 to 348 K9
Phase equilibria and crystallographic structure of clathrate hydrate formed with carbon dioxide and cyclohexanone9
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 MPa9
Thermochemical parameters of formation and vaporization of alkanethiols: from experiment to prediction9
The Absorption Mechanisms of CO2, H2S and CH4 Molecules in [EMIM][SCN] and [EMIM][DCA] Ionic Liquids: A Computational Insight9
Modelling solution speciation to predict pH and supersaturation for design of batch and continuous organic salt crystallisation processes9
Excess molar enthalpies in the binary system of carbon dioxide + ethyl lactate at 298.15 and 303.15 K and 5.0–7.0 MPa9
Solvent pre-selection for binary mixtures based on the activity coefficient at infinite dilution in deep eutectic solvent: Tetraethylammonium chloride+ Ethylene glycol9
Review of the adsorption equilibria of CO2, CH4, and their mixture on coals and shales at high pressures for enhanced CH4 recovery and CO2 sequestration9
The impressive impact of including enthalpy and heat capacity of mixing data when parameterising equations of state. Application to the development of the E-PPR78 (Enhanced-Predictive-Peng-Robinson-789
ePC-SAFT advanced - Part I: Physical meaning of including a concentration-dependent dielectric constant in the born term and in the Debye-Hückel theory9
Application of Pathfinder, Honey Badger, Red Fox and Horse Herd algorithms to phase equilibria and stability problems9
The impact of fluorinated ionic liquids aggregation in the interactions with proteins9
Editorial Board9
Unveiling the salting effects of choline chloride on aqueous polymer solutions9
Estimation of the temperature dependence of the vaporization enthalpies of monofunctional aliphatic compounds9
Perspective: Machine Learning of Thermophysical Properties9
Experimental study and theoretical statistical modeling of acid blue 25 remediation using activated carbon from Citrus sinensis leaf9
Effect of the anion in phosphonium-based ionic liquids to recovery efficiently 2-propanol from an azeotropic mixture with water9
Avoiding round-off error in the Rachford–Rice equation9
Editorial Board9
[Tf2N]-based ionic liquids for the selective liquid-liquid extraction of levulinic acid/formic acid: COSMO-RS screening and ternary LLE experimental data8
Phase behavior of the carbon dioxide/toluene/poly(methyl methacrylate) ternary system8
Chitin extracted from various biomass sources: It's not the same8
Phase behavior of the carbon dioxide/toluene/poly(ethylene glycol) ternary system8
Molecular cages in supercritical fluids at high pressures8
Editorial Board8
Preface to special issue for Professor Yoshio Iwai Festschrift8
Editorial Board8
A General Framework for Modelling Association Formulated in Terms of Bond Sites8
Thermodynamic phase equilibria of binary SF6–N2O hydrates and their structural analysis for the hydrate-based greenhouse gas capture8
Helmholtz energy models for dipole interactions: Review and comprehensive assessment8
Thermodynamic assessment of the LiF BaF2 ZrF4 system8
Prediction of second order derivative thermodynamic properties of ionic liquids using SAFT-VR Morse equation of state8
Cubic-two-state equation of state for modeling liquid-liquid and vapor-liquid equilibria of nitriles + hydrocarbons or water mixtures8
Modeling solubility of oxygen in ionic liquids: Chemical structure-based Machine Learning Systems Compared to Equations of State8
High-pressure phase equilibrium and volumetric properties of pseudo-binary mixtures of stock tank oil + nitrogen/carbon dioxide up to 463K8
Prediction of CO2 solubility in glymes and ionic liquids using modified generalized BWR EoS8
A semi-empirical vapor pressure equation derived from the van der Waals equation8
Effect of the ionic liquids on extraction of aromatic and sulfur compounds from the model petrochemical stream8
Fuel sorption into polymers: Experimental and machine learning studies8
Speed of sound measurements of binary n-octane+ ethylcyclohexane mixture at liquid-gas phase transition curve8
Solubility of difluoromethane (R-32) and pentafluoroethane (R-125) in 1-alkyl-3-methylimidazolium tricyanomethanide ionic liquids8
Isochoric bubble point data for binary systems of 1 (ethane) in 2 (decane, undecane, dodecane and tridecane)8
A simple correlation for reliable prediction of intrinsic viscosity (limiting viscosity number) of different polymer-solvent combinations8
Understanding the interactions between CO28
Water vapour adsorption isotherms of shales: Thermodynamic properties and microstructure8
Evaluation of different equations of state and free-volume approaches for unified modeling of diffusion and thermodiffusion coefficients8
Insights into molecular interactions gleaned from a lattice-based Helmholtz equation of state8
Experimental investigation of the effect of nitrogen on the phase equilibrium behavior of the CH4–CO2 mixture at low temperature for natural and biogas purification8
CO2 solubility and diffusivity in 1-ethyl-3-methylimidazolium cation-based ionic liquids; isochoric pressure drop approach8
Hydrate phase equilibrium determination and thermodynamic modeling of CO2 + epoxy heterocycle + water systems7
Sequestration of light hydrocarbons in Ionic Liquids at high-pressures: Consistency and thermodynamic modeling7
A bayesian deep learning-based approach to group contribution methods: A study on cannabinoids and terpenes7
Thermophysical properties of the biofuel components: A mini-guide to the critical properties, heat capacities, and thermal conductivities7
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 equations7
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 opt7
Bulk and interfacial thermodynamics of ammonia, water and their mixtures7
Vapor pressures and thermophysical properties of selected monoterpenoids II7
Modeling solubility of amino acids and peptides in water and in water+2-propanol mixtures: PC-SAFT vs. gE models7
Reliable prediction of crystal density of high nitrogen-containing organic compounds as powerful, less sensitive, eco-friendly energetic materials for dependable assessment of their performance7
New correlation for the temperature dependent viscosity of saturated refrigerants liquids7
Acetone + 1-ethyl-3-methylimidazolium acetate phase diagram: A correlation challenge7
Phase equilibria liquid-liquid for ternary systems n-amyl alcohol – water – (acetic acid, n-amyl acetate), n-amyl acetate – water – acetic acid at 293.15 K, 303.15 K, 313.15 K and 323.15 K7
A new methodology for determining the temperature of maximum density against pressure. Application to 2-propanol and ethanol aqueous solutions7
Experimental measurement and prediction of thermal conductivity of fatty acid ethyl esters: ethyl butyrate and ethyl caproate7
Exploring pNIPAM lyogels: Experimental study on swelling equilibria in various organic solvents and mixtures, supported by COSMO-RS analysis7
Solution crystallisation of single and mixed n-alkanes, within the homologous series C16 to C23 from representative hydrocarbon fuel solvents7
Measurement of the critical temperatures, pressures, heat capacities, and thermal diffusivities of four furanic compounds involved in the production of second-generation biofuels7
Vaporization enthalpy of silanes fluids: A new correlation based on the corresponding states principle7
A classification of phase envelopes for reservoir fluids with asphaltene onset lines: Exploring topology transitions based on compositional changes7
Liquid-liquid equilibrium of glycerol – acetone – solketal – water quaternary system at 303.2 K, 308.2 K and 313.2 K7
Insights into the Partitioning of DNA in Aqueous Biphasic System Containing Ammonium-based Ionic Liquid and Phosphate Buffer7
Fish-shaped diagram of liquid–liquid equilibria for the mixtures water + n-alkane + n-alkyl polyglycol ether7
Activated carbon materials with a rich surface chemistry prepared from L-cysteine amino acid7
An improved dispersive contribution for the COSMO-SAC-Phi equation of state7
Thermophysical properties: Viscosity, density, and excess properties of 2-propanol and n-Decane mixtures from 283.15 K to 343.15 K under atmospheric conditions7
High-pressure phase equilibrium data of carbon dioxide/food-relevant systems (2011-2022): Experimental methods, multiphase behavior, thermodynamic modeling, and applications7
Experimental determination and theoretical modeling of isobaric vapor–liquid equilibria, liquid mass density, surface tension and dynamic viscosity for the methyl butyrate and tert-butanol binary mixt7
Effect of cross-sectional geometry, area, and solid-fluid interaction strength on liquid droplets and bridges inside nanopores7
Application of deep neural network (DNN) for experimental liquid-liquid equilibrium data of water + butyric acid + 5-methyl-2-hexanone ternary systems7
Experimental and thermodynamic modelling of hydrate dissociation conditions for CO7
NIST-UNIFAC parametrization for phase equilibrium calculation of mixtures containing lactones7
Perfluorinated pollutants in water: Diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations6
A generalized machine learning-assisted phase-equilibrium calculation model for shale reservoirs6
Measurements and correlation of activity coefficients at infinite dilution for organic solutes in 1-heptyl-3-methylimidazolium chloride6
A step-wise ion hydration model of aqueous electrolyte solution: The 2:2, 2:1 and 1:2 punches6
Tunable naturally-derived oligomeric ionic liquids: phase behavior and liquid crystal profile6
Quasi-universally modeling of interfacial properties for saturated liquids using a dimensionless calorimetric parameter6
Modeling of equilibrium water vapor adsorption isotherms on activated carbon, alumina and hopcalite6
Preferential solvation in pharmaceutical processing: Rigorous results, critical observations, and the unraveling of some significant modeling pitfalls6
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-hydroxymethylfurfural6
Impact of chloride salts on TBAB/Methane and TBAB/Carbon dioxide semiclathrate hydrates: Application to desalination6
Extension of the eSAFT-VR Mie equation of state from aqueous to non-aqueous electrolyte solutions6
Investigation of vapor liquid equilibria for HFO-1336mzz(E) + HFC-1234ze(E) binary system by a novel developed cyclic-analytical apparatus6
Thermodynamic modeling of adsorption at the liquid-solid interface6
Predicting the equilibrium solubility of CO2 in alcohols, ketones, and glycol ethers: Application of ensemble learning and deep learning approaches6
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 field6
Solubility of Quetiapine hemifumarate (antipsychotic drug) in supercritical carbon dioxide: Experimental, modeling and Hansen solubility parameter application6
Molecular dynamics simulation of the interaction between ionic liquid [OPy][BF4] and SO26
WITHDRAWN: Phase behavior analysis of methane confined in mesopores using molecular simulation6
Thermodynamic modeling of anticancer drugs solubilities in supercritical CO2 using the PC-SAFT equation of state6
Gas solubility and diffusivity of hydrofluorocarbons and hydrofluoroolefins in cyanide-based ionic liquids for the separation of refrigerant mixtures6
Thermodynamic modeling procedure for modeling viscosity of polymer solutions6
The artificial neural network-based two-phase equilibrium calculation framework for fast compositional reservoir simulation of CO2 EOR6
WITHDRAWN: Apparent molar volume at infinite dilution, expansivities and electrochemical behaviors of binary system (tetramethylpiperidine 1-oxyl-based ionic liquids + water)6
Thermodynamic modeling and parameter estimability analysis of a wet phosphoric acid process with impurities6
Experimental investigation and thermodynamic modeling of asphaltene precipitation during pressure depletion and gas injection at HPHT conditions in live oil using PC-SAFT EoS6
Thermodynamic characterization of {1-ethyl-1-methyl-pyrrolidinium dimethylphosphate, [C1C2PYR][DMP], or 1-hydroxyethyl-1-methylpyrrolidinium dimethylphosphate, [C1C2OHPYR][DMP] (1) + ethanol (2)} bina6
Solvent mixtures in pharmaceutical development: Maximizing the API solubility and avoiding phase separation6
UNIFAC and Wilson models to correlate solubility of pharmaceutical compounds in supercritical carbon dioxide6
VLE property measurements and PC-SAFT/ CP- PC-SAFT/ E-PPR78 modeling of the CO2 + n-tetradecane mixture6
COSMO-SAC model and vortex assisted liquid-liquid microextraction to assess the hydrophobic deep eutectic solvents as an alternative path for parabens removal from aqueous media6
Measurement of diffusion coefficients of hydrogen sulfide in water and brine using in-situ Raman spectroscopy6
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