Fluid Phase Equilibria

(The TQCC of Fluid Phase Equilibria is 7. 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 2020-04-01 to 2024-04-01.)
Thermodynamic phase equilibrium of single-guest hydrate and formation data of hydrate in presence of chemical additives: a review60
Review and comparison of equations of state for the Lennard-Jones fluid58
ePC-SAFT advanced - Part I: Physical meaning of including a concentration-dependent dielectric constant in the born term and in the Debye-Hückel theory56
Application of Artificial Intelligence-based predictive methods in Ionic liquid studies: A review50
Experimental and thermodynamic analyses of supercritical CO2-Solubility of minoxidil as an antihypertensive drug45
A simple model for the viscosities of deep eutectic solvents44
Review on the characteristics and advantages related to the use of flue-gas as CO2/N2 mixture for gas hydrate production39
Solubility of Quetiapine hemifumarate (antipsychotic drug) in supercritical carbon dioxide: Experimental, modeling and Hansen solubility parameter application36
ePC-SAFT advanced – Part II: Application to Salt Solubility in Ionic and Organic Solvents and the Impact of Ion Pairing36
Scaled charges at work: Salting out and interfacial tension of methane with electrolyte solutions from computer simulations33
Extraction of pyridine from n-alkane mixtures using methyltriphenylphosphonium bromide-based deep eutectic solvents as extractive denitrogenation agents31
Diffusivity of α-, β-, γ-cyclodextrin and the inclusion complex of β-cyclodextrin: Ibuprofen in aqueous solutions; A molecular dynamics simulation study30
Vapor-liquid interfacial properties of the system cyclohexane + CO2: Experiments, molecular simulation and density gradient theory29
CO2 solubility in some amino acid-based ionic liquids: Measurement, correlation and DFT studies29
Effect of promoters on CO2 hydrate formation: thermodynamic assessment and microscale Raman spectroscopy/hydrate crystal morphology characterization analysis28
Developing machine learning models for ionic conductivity of imidazolium-based ionic liquids27
Gas solubility and diffusivity of hydrofluorocarbons and hydrofluoroolefins in cyanide-based ionic liquids for the separation of refrigerant mixtures26
CO2 absorption in amino acid-based ionic liquids: Experimental and theoretical studies26
Experimental and modeling investigation of Glibenclamide solubility in supercritical carbon dioxide26
Thermal conductivity of ionic liquids under pressure25
Solubility of Pholcodine (antitussive drug) in supercritical carbon dioxide: Experimental data and thermodynamic modeling24
Novel benzilic acid-based deep-eutectic-solvents: Preparation and physicochemical properties determination24
Measurements and calculations of thermal conductivity for liquid n-octane and n-decane23
Selection and characterization of non-ideal ionic liquids mixtures to be used in CO2 capture23
Enhancement of curcumin solubility by some choline chloride-based deep eutectic solvents at different temperatures23
A group contribution-based prediction method for the electrical conductivity of ionic liquids22
Solubility modeling, mixing properties and solvent effect of 5-norbornene-2,3-dicarboximide in eleven pure solvents at various temperatures21
Perspective: Machine Learning of Thermophysical Properties21
Solvation structure and molecular interactions of ibuprofen with ethanol and water: A theoretical study21
Liquid-liquid equilibria and thermophysical properties of ternary mixtures {(benzene / thiophene) + hexane + deep eutectic solvents}20
Liquid-liquid equilibrium for n-hexane + benzene + sulfolane, + 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]), + 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4])20
Importance of the Relative Static Permittivity in electrolyte SAFT-VR Mie Equations of State19
Modelling solubility in semi-crystalline polymers: a critical comparative review19
Experimental measurement and thermodynamic modeling of solubility of Riluzole drug (neuroprotective agent) in supercritical carbon dioxide19
Solubility of hydrogen in sodium chloride brine at high pressures19
Evaluation of different thermodynamic models in predicting asphaltene precipitation: A comparative study18
Measurement and correlation of coumarin solubility in aqueous solution of acidic deep eutectic solvents based on choline chloride18
Deep eutectic solvent as a possible entrainer for industrial separation problems: Pre-screening tool for solvent selection18
Structure and dynamics of thymol - fatty acids based deep eutectic solvent investigated by molecular dynamics simulation18
The monotonicity behavior of density profiles at vapor-liquid interfaces of mixtures18
Competitive H2S – CO2 absorption in reactive aqueous methyldiethanolamine solution: Prediction with ePC-SAFT18
First-principles prediction of solid solute solubility in supercritical carbon dioxide using PR+COSMOSAC EOS17
Molecular dynamics simulation of the effects of different thermodynamic parameters on methane hydrate dissociation: An analysis of temperature, pressure and gas concentrations17
Densities of Pt–X (X: Fe, Co, Ni and Cu) binary melts and thermodynamic correlations17
Separation of thiophene from octane/hexadecane with ionic liquids in ternary liquid-liquid phase equilibrium17
Viscosities of pure protic ionic liquids and their binary and ternary mixtures with water and ethanol17
Equilibrium CO2 solubility in the aqueous mixture of MAE and AEEA: Experimental study and development of modified thermodynamic model17
Experimental study and theoretical statistical modeling of acid blue 25 remediation using activated carbon from Citrus sinensis leaf17
Estimation of enthalpies of sublimation of organic, organometallic and inorganic compounds17
Experimental study and modelling on diffusion coefficient of CO2 in water17
Measurements and modeling of the VLE properties of n-hexadecane in supercritical binary propane+n-butane solvent17
Extraction of antibiotics using aqueous two-phase systems based on ethyl lactate and thiosulphate salts16
Thermodynamic modeling of CO2 sol16
Assessing the effect of impurities on the thermophysical properties of methane-based energy systems using polar soft-SAFT16
Physico-chemical characterization of aqueous solutions of superbase ionic liquids with cellulose dissolution capability16
Phase equilibrium of R1234yf and R1234ze(E) with POE lubricant and thermodynamic performance on the evaporator16
Search for the optimal expression of the volumetric dependence of the attractive contribution in cubic equations of state16
Estimation of vapor pressures of liquid and solid organic and organometallic compounds at 298.15 K16
Measurements and calculations of solid-liquid equilibria in two quaternary systems: LiCl–NaCl–SrCl2–H2O and LiCl–KCl–SrCl2–H2O at 298 K16
Acetone adsorption on activated carbons: Roles of functional groups and humidity15
Physical Properties and NH3 Solubilities of Deep Eutectic Solvents Formed by Choline Chloride and Glycols15
Measurements and modeling of vapor liquid equilibrium of CO2 in amine activated imidazolium ionic liquid solvents15
Estimation of pure component parameters of PC-SAFT EoS by an artificial neural network based on a group contribution method15
Thermodynamic features-driven machine learning-based predictions of clathrate hydrate equilibria in the presence of electrolytes15
Measurements and NRTL modeling of liquid-liquid equilibrium of dimethyl ether/bitumen15
Solid-fluid equilibrium measurements of benzene in methane and implications for freeze-out at LNG conditions15
Aqueous two-phase systems formed by different phase-forming components: Equilibrium diagrams and dye partitioning study15
Accurate quantum-corrected cubic equations of state for helium, neon, hydrogen, deuterium and their mixtures14
An improved volume-translated SRK EOS dedicated to more accurate determination of saturated and single-phase liquid densities14
Phase stability analysis for tight porous media by minimization of the Helmholtz free energy14
Can deep learning algorithms enhance the prediction of solute descriptors for linear solvation energy relationship approaches?14
Fast-response halogenated 4-alkyl-4′′-cyano-p-terphenyls as dual frequency addressing nematics14
Review of the adsorption equilibria of CO2, CH4, and their mixture on coals and shales at high pressures for enhanced CH4 recovery and CO2 sequestration14
Investigation of the performance of e-CPA for a wide range of properties for aqueous NaCl solutions14
Hybrid, Interpretable Machine Learning for Thermodynamic Property Estimation using Grammar2vec for Molecular Representation14
Chitin extracted from various biomass sources: It's not the same14
Solid-liquid phase equilibrium of trans-cinnamic acid, p-coumaric acid and ferulic acid in water and organic solvents: Experimental and modelling studies13
Solubility determination and thermodynamic modeling of solid−liquid equilibria in the LiBO2−Li2B4O7−H2O system at 298.15 K and 323.15 K13
An analysis of the parameters in the Debye-Hückel theory13
An open source COSMO-RS implementation and parameterization supporting the efficient implementation of multiple segment descriptors13
SPT-NRTL: A physics-guided machine learning model to predict thermodynamically consistent activity coefficients13
Functionalized Imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids for Gas Sensors: Solubility of H2, O2 and SO213
Isobutyl acetate by reactive distillation. Non-reactive phase equilibrium and topological analysis13
Clathrate hydrates at temperatures below the freezing point of water: A review13
Molecular dynamics simulations of aqueous solutions of short chain alcohols. Excess properties and the temperature of maximum density13
Hydrogen sulfide solubility in 50 wt% and 70 wt% aqueous methyldiethanolamine at temperatures from 283 to 393 K and total pressures from 500 to 10000 kPa12
A machine learning approach for estimating surface tension based on pendant drop images12
Isobaric vapor–liquid equilibrium for methyl acetate + methanol with double salt ionic liquid [EMIM][Cl]0.5[DCA]0.5 as entrainer at 101.3 kPa12
A robust and highly efficient phase boundary method for determining the thermodynamic equilibrium conditions of bulk gas hydrate systems12
Measurements and correlation of vapor-liquid equilibrium for difluoromethane (R-32) + 2,3,3,3-tetrafluoroprop-1-ene (R-1234yf) and pentafluoroethane (R-125) + propane (R-290)12
3.Al-Based Metal-Organic Framework MFM-300 and MIL-160 for SO2 Capture: A Molecular Simulation Study12
Solubility of Sulfanilamide and Sulfacetamide in neat solvents: Measurements and interpretation using theoretical predictive models, first principle approach and artificial neural networks12
Computer simulations on double hydrophobic PS-b-PMMA porous membrane by non-solvent induced phase separation12
Predicting shear viscosity of 1,1-diphenylethane at high pressures by molecular dynamics methods12
Surface and confinement effects on the self-diffusion coefficients for methane-ethane mixtures within calcite nanopores12
Isobaric vapor–liquid equilibrium and isothermal surface tension for hexane + cyclopentyl methyl ether binary mixture: Experimental determinations and theoretical predictions12
How to detect possible pitfalls in ePC-SAFT modelling: Extension to ionic liquids12
Two-phase flash for tight porous media by minimization of the Helmholtz free energy12
Insights into the Partitioning of DNA in Aqueous Biphasic System Containing Ammonium-based Ionic Liquid and Phosphate Buffer12
New modified PC-SAFT pure component parameters for accurate VLE and critical phenomena description12
Modified PC-SAFT characterization technique for modeling asphaltenic crude oil phase behavior12
Vapor-liquid equilibrium measurements for binary mixtures of carbon dioxide (CO2) + 2,3,3,3-Tetrafluoroprop-1-ene (R-1234yf) and carbon dioxide (CO2) + 3,3,3-Trifluoropropene (R-1243zf)12
Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation12
Corresponding state principle based correlation for the thermal conductivity of saturated refrigerants liquids from Ttr to 0.90Tc12
Correlation and prediction of small to large sized pharmaceuticals solubility, and crystallization in binary and ternary mixed solvents using the UNIQUAC-SAC model12
Thermodynamic characterization of {1-ethyl-1-methyl-pyrrolidinium dimethylphosphate, [C1C2PYR][DMP], or 1-hydroxyethyl-1-methylpyrrolidinium dimethylphosphate, [C1C2OHPYR][DMP] (1) + ethanol (2)} bina12
Enhancing Artemisinin Solubility in Aqueous Solutions: Searching for Hydrotropes based on Ionic Liquids11
Improved Prediction of Saturated and Single-Phase Liquid Densities of Water through Volume-Translated SRK EOS11
Modeling solubility of amino acids and peptides in water and in water+2-propanol mixtures: PC-SAFT vs. gE models11
Towards a predictive Cubic Plus Association equation of state11
Thermodynamic study on carbon dioxide absorption in vinyl imidazolium–amino acid ionic liquids11
A molecular dynamics simulation study of KF and NaF ion pairs in hydrothermal fluids11
PρT parameterization of SAFT equation of state: developing a new parameterization method for equations of state11
Group contribution-based property modeling for chemical product design: A perspective in the AI era11
Molecular insights into the microstructure of ethanol/water binary mixtures confined within typical 2D nanoslits: The role of the adsorbed layers induced by different solid surfaces11
On the history of key empirical intermolecular potentials11
A generalized machine learning-assisted phase-equilibrium calculation model for shale reservoirs11
Experimental investigation and thermodynamic modeling of xenon clathrate hydrate stability conditions11
Prediction of CO2 solubility in pyridinium-based ionic liquids implementing new descriptor-based chemoinformatics models11
Development of a robust soft-SAFT model for protic ionic liquids using new high-pressure density data11
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)11
Measurement and modeling of CO2 solubility in binary aqueous DMSO and MDEA and their ternary mixtures at different temperatures and compositions11
Solubility of CO2 in 0.1M, 1M and 3M of 2-amino-2-methyl-1-propanol (AMP) from 313 to 393K and model representation using the eNRTL framework11
Separation of low molecular weight alcohols from water with deep eutectic solvents: Liquid-liquid equilibria and process simulations11
Measurement of the thermal conductivity of the components of biodiesels: Methyl laurate and methyl myristate11
Thermodynamic modeling of calcium carbonate scale precipitation: aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system11
Modeling and parameters estimation for the solubility calculations of nicotinamide using UNIFAC and COSMO-based models11
Properties of symmetric 1,3-diethers based on glycerol skeletons for CO2 absorption11
Solubility of carbon dioxide (CO2) in four bis (trifluoromethyl-sulfonyl)imide ([Tf2N]) based ionic liquids11
Estimation of PC-SAFT binary interaction coefficient by artificial neural network for multicomponent phase equilibrium calculations10
Separation of acetonitrile + isopropanol azeotropic mixture using ionic liquids with acetate anion as entrainers10
On the Krichevskii parameter of solutes in dilute solutions: Formal links between its magnitude, the solute-solvent intermolecular asymmetry, and the precise description of solution thermodynamics10
Liquid-liquid equilibria of aqueous biphasic systems containing 1-alkyl-3-methylimidazolium amino acid ionic liquids with different anions (L-Leucine, L-Valine, L-Lysine) and inorganic salt (tripotass10
Fluid-fluid and fluid-solid phase equilibria in carbon dioxide + waxy systems 1. CO + n-C10
A molecular dynamics study on the role of oxygen-containing functional groups on the adhesion of polymeric films to the aluminum surface10
Estimation of the temperature dependence of the vaporization enthalpies of monofunctional aliphatic compounds10
Amino-acid-based chiral ionic liquids characterization and application in aqueous biphasic systems10
Study of the partition of sodium diclofenac and norfloxacin in aqueous two-phase systems based on copolymers and dextran10
Saturated pressure and vapor-phase pvT measurements of 1,1-difluoroethene (R1132a)10
Thermodynamics and kinetics of CO2 hydrate formation in the presence of cellulose nanocrystals with statistical treatment of data10
Adsorption properties of ion-exchanged SSZ-13 zeolite for ethylene/ethane separation10
Phase equilibria and energetics of binary mixtures of water with highly hydrophilic [EMIM]-based ionic liquids: Methanesulfonate, methylsulfate, and dimethylphosphate10
Cubic equation of state as a quartic in disguise10
SAFT and cubic EoS: Type of deviation from ideality naturally predicted in the absence of BIPs. Application to the modelling of athermal mixtures10
Effect of deep eutectic solvents based on choline chloride on the thermodynamic and transport properties of D-fructose in aqueous solution10
Liquid-liquid, vapor-liquid and vapor-liquid-liquid experimental equilibrium of the system water + 1-butanol + 2-butanol at 101.3 kPa and data correlation10
Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubi10
Modeling the acentric factor of binary and ternary mixtures of ionic liquids using advanced intelligent systems10
Simultaneous viscosity and density measurements and modeling of 2-alcohols at temperatures between (291 and 353) K and pressures up to 50 MPa10
Empirical regressions between system parameters and solute descriptors of polyparameter linear free energy relationships (PPLFERs) for predicting solvent-air partitioning10
Solubility and phase diagram investigation of the ternary system LiCl–SrCl2–H2O at 323.15 K and 348.15 K10
Thermochemistry of the lignin broken bits10
Phase equilibrium for methane, ethane and carbon dioxide hydrates at pressures up to 100 MPa through high-pressure microcalorimetry: Experimental data, analysis and modeling10
Insights into the mechanisms affecting water/oil interfacial tension as a function of salt types and concentrations10
Clathrate hydrate based approach for concentration of sugar aqueous solution, orange juice, and tomato juice: Phase equilibrium modeling using a thermodynamic framework10
Ice formation and growth in supercooled water–alcohol mixtures: Theory and experiments with dual fiber sensors10
The impact of the adsorbent energy heterogeneities by multidimensional-multicomponent PC-SAFT-DFT10
Isobaric vapor-liquid equilibrium of water + glymes binary mixtures: Experimental measurements and molecular thermodynamic modelling9
Development of the NRTL functional activity coefficient (NRTL-FAC) model using high quality and critically evaluated phase equilibria data. 19
Solubility of DNP-amino acids and their partitioning in biodegradable ATPS: Experimental and ePC-SAFT modeling9
Extraction of aromatic and polyaromatic compounds with NMP: experimental and model description9
New association schemes for tri-ethylene glycol9
The temperature of maximum density for amino acid aqueous solutions. An experimental and molecular dynamics study9
On the linear orthobaric-density representation of near-critical solvation quantities: What can we conclude about the accuracy of this paradigm?9
High pressure bubble- and dew-point data for systems containing CO2 with 1-decanol and n-hexadecane9
Necessity of imposing total miscibility for certain binary pairs in LLE data correlations9
Density and viscosity of CO2 + ethyl acetate binary systems from 308.15 to 338.15 K and 15 to 45 MPa9
Measurement and correlation of ternary system {water + 2,3-butanediol + 2-methyl-1-pentanol} and {water + 2,3-butanediol + 3-methyl-1-butanol} liquid-liquid equilibrium data9
Cumene extraction separation from alkanes using DMSO: Influence of the alkane structure9
Multi-criteria optimization for parametrizing excess Gibbs energy models9
Phase behavior of carbon dioxide + chloroform + ω-pentadecalactone + poly(ω-pentadecalactone) system: Experimental data and PC-SAFT modeling9
Empirical correlations for second virial coefficients of nonpolar and polar fluids covering a wide temperature range9
Liquid viscosity, interfacial tension, thermal diffusivity and mutual diffusivity of n-Tetradecane with dissolved carbon dioxide9
Assessment of bio-ionic liquids as promising solvents in industrial separation processes: Computational screening using COSMO-RS method9
Viscosity-dependent empirical formula for electrical conductivity of H29
Surface tension of diesel-alcohol blends: Selection among fundamental and empirical models9
Influence of alkyl chain length of imidazolium-based ionic liquid on the crude oil-aqueous solution IFT under different ionic strengths9
Liquid surface tension, kinematic viscosity, density and refractive index of the binary mixtures of n-hexadecane with methyl butyrate and methyl decanoate close to saturation conditions9
Aqueous biphasic systems created with choline chloride-fructose natural deep eutectic solvents and polypropylene glycol 400 and usage of these systems for extraction of some commonly used drugs9
Modeling of equilibrium water vapor adsorption isotherms on activated carbon, alumina and hopcalite9
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
Molecular models for phase equilibria of alkanes with air components and combustion products I. Alkane mixtures with nitrogen, CO2 and water9
Vapor-liquid equilibria, solid-vapor-liquid equilibria and H2S partition coefficient in (CO2 + CH4) at temperatures between (203.96 and 303.15) K at pressures up to 9 MPa8
Measurement of diffusion coefficients of hydrogen sulfide in water and brine using in-situ Raman spectroscopy8
Dielectric constant of mixed solvents based on perturbation theory8
Liquid-liquid equilibria of ternary aqueous mixtures containing acrylates, acrylic acid, or alkanols8
Isobaric vapor – liquid – liquid equilibrium for water + MTBE + alcohol (ethanol or 1-butanol) mixtures8
Measurement and correlation of adsorption equilibria of propylene glycol monomethyl ether acetate on activated carbon in the presence of supercritical carbon dioxide8
Cubic-plus-association equation of state parameterization of liquid-liquid equilibrium of propane + n-butane + bitumen and dimethyl ether + bitumen systems8
Predicting PC-SAFT pure-component parameters by machine learning using a molecular fingerprint as key input8
Self-diffusion coefficients of amines, a molecular dynamics study8
Revisiting the treatment of cross-association interactions in oxygenate mixtures with the polar PC-SAFT equation of state8
Measurements and theoretical simulations of phase equilibria in the quaternary systems NaBr + KBr + SrBr2 + H2O, NaBr + MgBr2 + SrBr2 + H2O and their subsystems at 273.15 K8
Solid-liquid equilibria in mixtures of iron(III) nitrate nonahydrate and ethanol or 1-propanol8
Solvent mixtures in pharmaceutical development: Maximizing the API solubility and avoiding phase separation8
Hydrate phase equilibrium determination and thermodynamic modeling of CO2 + epoxy heterocycle + water systems8
Group contribution methods to predict enthalpy of vaporization of aromatic and terpene ketones at 298.15 K8
Molecular Interactions of Some Bioactive Molecules Prevalent in Aqueous Ionic Liquid Solutions at Different Temperatures Investigated by Experimental and Computational Contrivance8
Theoretical and experimental study of triethanolamine and 1-alkanol mixtures8
Vapor-liquid equilibrium calculations at specified composition, density and temperature with the perturbed chain statistical associating fluid theory (PC-SAFT) equation of state8
Experimental and modeling using a generalized Patel-Teja-Valderrama equation of state for computation of mono ethanol amine (MEA) solution density in a CO2 capturing pilot plant8
Effects of zwitterionic molecules on ionic association in ethylene oxide-based electrolytes8
A predictive group-contribution framework for the thermodynamic modelling of CO8
Studies on stable phase equilibria of quaternary system LiBr-NaBr-SrBr2-H2O at 308.15 and 323.15 K8
Quenched solid density functional theory coupled with PC-SAFT for the adsorption modeling on nanopores8
[Tf2N]-based ionic liquids for the selective liquid-liquid extraction of levulinic acid/formic acid: COSMO-RS screening and ternary LLE experimental data8
Topological effects on separation of alkane isomers in metal−organic frameworks8
Extension of the eSAFT-VR Mie equation of state from aqueous to non-aqueous electrolyte solutions8
Extension of the Brunauer-Emmett-Teller (BET) model for sorption of gas mixtures on the solid substances8
An extended COSMO-SAC method for the prediction of carboxylic acid solubility8
Measurements and modeling of the hydrate phase equilibria of CO2 in the presence of promoters8
Prediction of thermodynamic properties of the ternary azeotropic mixtures8
Automated measurement of pH-dependent solid-liquid equilibria of itaconic acid and protocatechuic acid8
Measurements of phase equilibrium temperature and dissociation heat of tetrabutylphosphonium glutarate ionic semiclathrate hydrate8
Machine learning coupled with group contribution for predicting the density of deep eutectic solvents8
Molecular study on the role of solid/liquid interface in specific heat capacity of thin nanofluid film with different configurations8
In search of sustainable alternatives for vegetable oils deacidification using oligomeric ionic liquid approach8
Vapor- liquid equilibrium for the n-dodecane + phenol and n-hexadecane + phenol systems at 523 K and 573 K8
The solubility parameters of carbon dioxide and ionic liquids: Are they an enigma?8
Parameterization of a RTPT Association Activity Coefficient Model using Spectroscopic Data7
Temperature dependence and short-range electrolytic interactions within the e-PPC-SAFT framework7
Predicting CO2 solubility in aqueous and organic electrolyte solutions with ePC-SAFT advanced7
On density-based modeling of dilute non-electrolyte solutions involving wide ranges of state conditions and intermolecular asymmetries: Formal results, fundamental constraints, and the rationale for i7
Towards Aqueous – Fluorous – Hydrogenous emulsions: Phase equilibria and liquid structure of (water + 1H,1H-Perfluorobutanol + 1-butanol) ternary mixture7
Prediction of equilibrium conditions for gas hydrates in the organic inhibitor aqueous solutions using a thermodynamic consistency-based model7
Empirical correlations for second virial coefficients of associated and quantum fluids covering a wide temperature range7
Prediction of second order derivative thermodynamic properties of ionic liquids using SAFT-VR Morse equation of state7
Three-parameter correlation for the temperature dependent thermal conductivity of saturated liquids7
Measurement and prediction of solid-liquid equilibria in the ternary system (KCl-SrCl2-H2O) at 273 and 308 K7
Patel-Teja cubic equation of state – A review of modifications and applications till 20227
Measurement and modelling of solid apparition temperature for the CO2 – H2S – CH4 ternary system7
Carbon dioxide solubility in aqueous N-Methylpyrrolidone solution7
Experimental investigation of saturated liquid kinematic viscosity and surface tension of two isomeric refrigerants trans-1,1,1,4,4,4-hexafluoro-butene (R1336mzz(E)) and cis-1,1,1,4,4,4-hexafluoro-but7
Study on phase equilibrium of the Mg2+, NH4+//Cl−, SO42−−H2O quaternary system at 363.15 K and its application7
Sugars as hydrogen-bond donors tune the phase behavior in a novel liquid–liquid biphasic system formed by hydrophilic deep eutectic solvents and n-propanol7
Isothermal vapour-liquid equilibrium measurements for the water + butane-1,4-diol/butane-2,3-diol system within 353.1–373.2 K7
Development of a new method for measurement of the water dew/frost point of gas7
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-hydroxymethylfurfural7
Thermodynamic Modeling of Aqueous LiCl, LiBr, LiI, and LiNO3 Solutions7
Predicting wax appearance temperature and precipitation profile of normal alkane systems: An explicit co-crystal model7
Prediction of thermodynamic properties of organic mixtures: Combining molecular simulations with classical thermodynamics7
Molecular simulations for improved process modeling of an acid gas removal unit7
The role of surfactant force field on the properties of liquid/liquid interfaces7
Efficient solution of linear systems arising in the linearization of the VTN-phase stability problem using the Sherman-Morrison iterations7
Research on polyether-based hydrocarbon thickener for CO27
On the thermodynamic consistency of non-random hydrogen bonding lattice-fluid model for multicomponent mixtures7
Theoretically consistent calculation of viscous activation parameters through the Eyring equation and their interpretation7
Activity coefficients in nearly athermal mixtures predicted from equations of state: Don't blame the cubic when it is the lack of a third parameter!7
Thermodynamically consistent vapor-liquid equilibrium modelling with artificial neural networks7
Group-contribution SAFT equations of state: A review7