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Influence of Cyclic Dimer Formation on the Phase Behavior of Carboxylic Acids
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Thermodynamic Modeling of Complex Systems
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Thermodynamic Modeling of Complex Systems
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Fluids with highly directional attractive forces. I. Statistical thermodynamics
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Fluids with highly directional attractive forces. II. Thermodynamic perturbation theory and integral equations
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Fluids with highly directional attractive forces. III. Multiple attraction sites
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Phase equilibria of associating fluid mixtures using the perturbed-hard-sphere-chain equation of state combined with the association model
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SAFT: Equation-of-state solution model for associating fluids
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Component database systems
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Recent applications of the cubic-plus-association (CPA) equation of state to industrially important systems
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Application of the CPA equation of state to organic acids
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Modelling of associating mixtures for applications in the oil & gas and chemical industries
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Prediction of binary intermolecular potential parameters for use in modelling fluid mixtures
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A generalisation of the SAFT- group contribution method for groups comprising multiple spherical segments
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An equation of state for acetic acid including the association term of SAFT
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Extending the GC-SAFT-VR approach to associating functional groups: Alcohols, aldehydes, amines and carboxylic acids
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Evaluation of the CO2 behavior in binary mixtures with alkanes, alcohols, acids and esters using the Cubic-Plus-Association Equation of State
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Physico-chemical constants of pure organic compounds
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The use of statistical associating fluid theory to improve the BACK equation of state
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Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering
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Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules
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Equation of state for small, large, polydisperse, and associating molecules: extension to fluid mixtures
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New reference equation of state for associating liquids
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Equation of state for small, large, polydisperse, and associating molecules
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Application of the Perturbed-Chain SAFT Equation of State to Associating Systems
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Modeling Copolymer Systems Using the Perturbed-Chain SAFT Equation of State
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Ten Years with the CPA (Cubic-Plus-Association) Equation of State. Part 1. Pure Compounds and Self-Associating Systems
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Ten Years with the CPA (Cubic-Plus-Association) Equation of State. Part 2. Cross-Associating and Multicomponent Systems
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Thermodynamic Modeling of the Water + Acetic Acid + CO2 System: The Importance of the Number of Association Sites of Water and of the Nonassociation Contribution for the CPA and SAFT-Type Models
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Phase Equilibrium Modelling for Mixtures with Acetic Acid Using an Association Equation of State
inferredcites →https://doi.org/10.1021/ie102105ropenalex-snapshot
Modeling of the Thermodynamics of the Acetic Acid−Water Mixture Using the Cubic-Plus-Association Equation of State
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An Equation of State for Associating Fluids
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Measurement of Isothermal Vapor−Liquid Equilibria for Hydrocarbon + Monocarboxylic Acid Binary Systems by a Flow-Type Apparatus
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Isothermal vapor-liquid equilibrium data for the system n-heptane-n-valeric acid at 50, 75, and 100.degree.
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Vapor−Liquid Equilibrium of the Acetic Acid + Octane Binary System at 323.15 K and 343.15 K
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Measurement of Vapor-Phase Compressibility Factors of Monocarboxylic Acids Using a Flow-Type Apparatus and Their Association Constants
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SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide
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Equilibrium Thermodynamic Properties of the Mixture of Hard Spheres
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Thermodynamic properties of Lennard-Jones chain molecules: Renormalization-group corrections to a modified statistical associating fluid theory
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Fluids of dimerizing hard spheres, and fluid mixtures of hard spheres and dispheres
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Thermodynamic perturbation theory of polymerization
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Statistical associating fluid theory for chain molecules with attractive potentials of variable range
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Phase equilibria of associating fluids
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Phase equilibria of associating fluids
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Thermodynamic perturbation theory for association into doubly bonded dimers
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Thermodynamic perturbation theory for association into chains and rings
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Flux of Different Volatile Fatty Acids Mixture in a Membrane Distillation
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Equations of state in three centuries. Are we closer to arriving to a single model for all applications?
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Association theories for complex thermodynamics
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Predicting the flux of various volatile fatty acids mixtures in a membrane distillation
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Vapour–liquid equilibrium of propanoic acid + water at 423.2, 453.2 and 483.2 K from 1.87 to 19.38 bar. Experimental and modelling with PR, CPA, PC-SAFT and PCP-SAFT
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CO2 solubility in small carboxylic acids: Monte Carlo simulations and PC-SAFT modeling
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A general framework for modelling association
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Estimation of the temperature dependence of the vaporization enthalpies of monofunctional aliphatic compounds
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A General Framework for Modelling Association Formulated in Terms of Bond Sites
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How to parameterise the association term in SAFT models? Insights from the I-PC-SAFT Equation of State
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Thermodynamic modeling of formic acid with SAFT-VR Mie DBD for energy applications: Heat pumps, Rankine cycles, and CO₂ electrochemical reduction
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Proposal of a universal and transparent protocol for PC-SAFT parameterisation and association scheme selection
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Locally constrained optimization of PC-SAFT parameters for reliable restricted group contribution calculations for associating fluids
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Activity Coefficients from an Equation of State: Novel Approach for Fast Phase Equilibrium Calculations
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Wertheim’s Association Theory for Phase Equilibrium Modeling in Chemical Engineering Practice
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Isobaric Vapor–Liquid Equilibrium Prediction from Excess Molar Enthalpy Using Cubic Equations of State and PC-SAFT
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Modeling of the Phase Behavior of Carboxylic Acid Systems Using the SAFT-VR Mie DBD Model: Application to the Simulation of the Acrylic Acid Production Process
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Extensive Study of the Capabilities and Limitations of the CPA and sPC-SAFT Equations of State in Modeling a Wide Range of Acetic Acid Properties
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Application of the Perturbed-Chain SAFT to Phase Equilibria in the Fischer–Tropsch Synthesis
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Application of the Modified Group Contribution PC-SAFT to Carboxylic Acids and Their Mixtures
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Liquid–Liquid Equilibrium Data of Acetic Acid + Alkane (C 8 –C 14 ) Binary Systems
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Dimerization of Carboxylic Acids: An Equation of State Approach
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Influence of Cyclic Dimer Formation on the Phase Behavior of Carboxylic Acids. II. Cross-Associating Systems
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Self-association of oligothiophenes in isotropic systems
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Size distribution of associated clusters in liquid alcohols: Interpretation of simulation results in the frame of SAFT approach
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A general mixture equation of state for double bonding carboxylic acids with ≥2 association sites
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A molecular equation of state for alcohols which includes steric hindrance in hydrogen bonding
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Evaluation of association schemes in the CPA and PC-SAFT equations of state in modeling VLE of organic acids + water systems
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Phase equilibria modeling of biorefinery-related systems: a systematic review
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Thermodynamic Modeling of Formic Acid with SAFT-VR Mie DBD for Energy Applications: Heat Pumps, Rankine Cycles, and CO2 Electrochemical Reduction
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Locally constrained optimization of PC-SAFT parameters for reliable group contribution predictions of associating fluids
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Parametrization of equations of state : definition of a methodology applicable to SAFT models for pure species (with and without association term) and evaluation of their influence on model performances
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Fractionnement au CO2 supercritique en colonne à garnissage : application à l'extraction d'acide acétique en solution aqueuse diluée
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First principles study on the H2 diffusion and desorption at the Li-doped MgH2(001) surface
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