Thermodynamic Properties of Binary Mixtures Containing Ionic Liquid 1-Butyl-3-methylimidazolium Thiocyanate and Ethanolamines at Different Temperatures: Measurement and PC-SAFT Modeling

The Effect of Binary Interaction Parameters and Induced Association on the Performance of the PC-SAFT Equation of State: Validation against a Benchmark Database of High-Quality Binary-System Data

(2023) Ilias K. Nikolaidis et al.   Journal of Chemical & Engineering Data

Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT

(2023) Moreno Ascani et al.   MOLECULES

Comparisons of equation of state models for electrolytes: e-CPA and e-PPC-SAFT

(2023) Martin Due Olsen et al.   FLUID PHASE EQUILIBRIA

A Review of Electrolyte Equations of State with Emphasis on Those Based on Cubic and Cubic-Plus-Association (CPA) Models

(2022) Georgios M. Kontogeorgis et al.   INTERNATIONAL JOURNAL OF THERMOPHYSICS

Ideal Gas Heat Capacity and Critical Properties of HFE-Type Engineering Fluids: Ab Initio Predictions of Cpig, Modeling of Phase Behavior and Thermodynamic Properties Using Peng–Robinson and Volume-Translated Peng–Robinson Equations of State

(2022) Ali Aminian et al.   INTERNATIONAL JOURNAL OF THERMOPHYSICS

The NIST REFPROP Database for Highly Accurate Properties of Industrially Important Fluids

(2022) Marcia L. Huber et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Microscopic and macroscopic effects in the decoherence of neutrino oscillations

(2022) Ting Cheng et al.   JOURNAL OF HIGH ENERGY PHYSICS

A Global Optimization Approach for Parameter Estimation of Cubic Plus Association Equations of State in Asphaltene Modeling: Studying the Temperature, Solvent, and Binary Interactions

(2022) Sepideh Alimohammadi et al.   ENERGY & FUELS

Temperature dependence and short-range electrolytic interactions within the e-PPC-SAFT framework

(2022) Juan Sebastián Roa Pinto et al.   FLUID PHASE EQUILIBRIA

Development of a fully analytical equation of state using ab initio interaction potentials. Application to pure simple fluids: Noble gases Ne, Ar, Kr, and Xe

(2022) Sana Dridi et al.   FLUID PHASE EQUILIBRIA

A View on the Future of Applied Thermodynamics

(2022) Jean-Charles de Hemptinne et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Assessment of two PC-SAFT parameterization strategies for pure compounds: model accuracy and sensitivity analysis

(2022) Benoit Creton et al.   DYNAMIC SYSTEMS AND APPLICATIONS

ePC-SAFT advanced - Part I: Physical Meaning of Including a concentration-dependent dielectric constant in the Born term and in the Debye-Hückel theory

(2021) Mark Bülow et al.   FLUID PHASE EQUILIBRIA

Surfactant Modeling Using Classical Density Functional Theory and a Group Contribution PC-SAFT Approach

(2021) Philipp Rehner et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A possible way to explicitly account for different molecular geometries with an equation of state

(2021) Joyce T. Lopes et al.   JOURNAL OF MOLECULAR LIQUIDS

Free-Energy-Averaged Potentials for Adsorption in Heterogeneous Slit Pores Using PC-SAFT Classical Density Functional Theory

(2021) Johannes Eller et al.   LANGMUIR

A predictive PC-SAFT EOS based on COSMO for pharmaceutical compounds

(2021) Samane Zarei Mahmoudabadi et al.   Scientific Reports

Ultrasound-assisted of alkali chloride separation using bulk ionic liquid membrane

(2021) Hemayat Shekaari et al.   ULTRASONICS SONOCHEMISTRY

Preliminary investigation of the influence of equations of state on the performance of CO2 + C6F6 as innovative working fluid in transcritical cycles

(2021) G. Di Marcoberardino et al.   ENERGY

Insights into the orientation and hydrogen bond influence on thermophysical and transport properties in choline-based deep eutectic solvents and methanol

(2021) Esteban Cea-Klapp et al.   JOURNAL OF MOLECULAR LIQUIDS

Thermodynamic Properties of Ternary Systems Containing (LiCl and LiBr) + Propylene Carbonate + Ionic Liquid (1-Alkyl-3-methylimidazolium Thiocyanate)

(2021) Behrang Golmohammadi et al.   ACS Omega

Computer-aided molecular design of solvents for chemical separation processes

(2021) Shiyang Chai et al.   Current Opinion in Chemical Engineering

A Benchmark Open-Source Implementation of COSMO-SAC

(2020) Ian H. Bell et al.   Journal of Chemical Theory and Computation

Cubic-Plus-Chain (CPC). III: Modeling Polymer-Solvent Phase Behavior with the Chain-Modified Cubic Equation of State

(2020) Caleb J. Sisco et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Thermodynamic study of binary mixture of 2-butanol + monoethanolamine at different temperatures; PC-SAFT and ERAS models

(2020) Sanaz Gharazadeh Shirazi et al.   JOURNAL OF MOLECULAR LIQUIDS

Density, Speed of Sound, and Viscosity of Diethylene Glycol Monoethyl Ether + N,N-Dimethylformamide (Ethanol, Water) at T = 288.15–318.15 K

(2019) Seyyedeh Narjes Mirheydari et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Thermodynamic and transport properties of ionic liquids, 1-alkyl-3-methylimidazolium thiocyanate in the aqueous lithium halides solutions

(2019) Hemayat Shekaari et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Simulation of supercritical diesel jets using the PC-SAFT EoS

(2018) C. Rodriguez et al.   JOURNAL OF SUPERCRITICAL FLUIDS

An Improvement to COSMO-SAC for Predicting Thermodynamic Properties

(2014) Ruichang Xiong et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Vapor–Liquid Equilibria of Water + Alkylimidazolium-Based Ionic Liquids: Measurements and Perturbed-Chain Statistical Associating Fluid Theory Modeling

(2014) Helena Passos et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Density, speed of sound, viscosity, refractive index and surface tension of N-methyl-2-pyrrolidone+diethanolamine (or triethanolamine) from T=(293.15 to 323.15)K

(2013) Ana B. López et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Modeling imidazolium-based ionic liquids with ePC-SAFT

(2012) Xiaoyan Ji et al.   FLUID PHASE EQUILIBRIA

Advanced calibration, adjustment, and operation of a density and sound speed analyzer

(2012) Tara J. Fortin et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Density and Viscosity of Binary Mixtures of Thiocyanate Ionic Liquids + Water as a Function of Temperature

(2012) U. Domańska et al.   JOURNAL OF SOLUTION CHEMISTRY

Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2

(2011) Jason P. Hallett et al.   CHEMICAL REVIEWS

Densities, isobaric expansivities and isothermal compressibilities of the thiocyanate-based ionic liquids at temperatures (298.15–338.15K) and pressures up to 10MPa

(2011) Marta Królikowska et al.   THERMOCHIMICA ACTA

Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions

(2010) Chieh-Ming Hsieh et al.   FLUID PHASE EQUILIBRIA

Vapor−Liquid Equilibria of Acid Gas−Aqueous Ethanolamine Solutions Using the PC-SAFT Equation of State

(2010) Khashayar Nasrifar et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Density, Speed of Sound, Isentropic Compressibility, and Excess Volume of Binary Mixtures of 1-Amino-2-propanol or 3-Amino-1-propanol with 2-Amino-2-methyl-1-propanol, Diethanolamine, or Triethanolamine from (293.15 to 323.15) K

(2010) Estrella Álvarez et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Density and Viscosity of Binary Mixtures of {1-Butyl-3-methylimidazolium Thiocyanate + 1-Heptanol, 1-Octanol, 1-Nonanol, or 1-Decanol}

(2010) Urszula Domańska et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Density, Speed of Sound, and Isentropic Compressibility of Triethanolamine (orN-Methyldiethanolamine) + Water + Ethanol Solutions fromt= (15 to 50) °C

(2009) Alicia García-Abuín et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Density, Viscosity, and Surface Tension of Synthesis Grade Imidazolium, Pyridinium, and Pyrrolidinium Based Room Temperature Ionic Liquids

(2009) Lara Galán Sánchez et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Density, Speed of Sound, Isentropic Compressibility, and Excess Volume of (Monoethanolamine + 2-Amino-2-methyl-1-propanol), (Monoethanolamine + Triethanolamine), and (Monoethanolamine +N-Methyldiethanolamine) at Temperatures from (293.15 to 323.15) K

(2009) Estrella Álvarez et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Modeling aqueous electrolyte solutions

(2008) Christoph Held et al.   FLUID PHASE EQUILIBRIA

Measurements of activity coefficients at infinite dilution of aliphatic and aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, MTBE, and water in ionic liquid [BMIM][SCN] using GLC

(2008) Urszula Domańska et al.   JOURNAL OF CHEMICAL THERMODYNAMICS