Linear Free-Energy Relationships (LFER) and Solvation Thermodynamics: The Case of Water and Aqueous Systems

[1]  I. Zuburtikudis,et al.  Linear Free-Energy Relationships and Solvation Thermodynamics: The Thermodynamic Basis of LFER Linearity , 2023, Industrial & Engineering Chemistry Research.

[2]  V. Hatzimanikatis,et al.  Linear Solvation–Energy Relationships (LSER) and Equation-of-State Thermodynamics: On the Extraction of Thermodynamic Information from the LSER Database , 2023, Liquids.

[3]  C. Panayiotou,et al.  Activity Coefficients at Infinite Dilution via a Perturbation Method of NRHB model , 2022, Chemical Engineering Science.

[4]  W. Acree,et al.  Abraham Solvation Parameter Model: Examination of Possible Intramolecular Hydrogen-Bonding Using Calculated Solute Descriptors , 2022, Liquids.

[5]  E. Wilhelm.  In Memoriam: Jean-Pierre E. Grolier (1936–2022) , 2022, Journal of Solution Chemistry.

[6]  Thomas Egert,et al.  Linear Solvation Energy Relationships (LSERs) for Robust Prediction of Partition Coefficients between Low Density Polyethylene and Water Part I: Experimental Partition Coefficients and Model Calibration. , 2022, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

[7]  Thomas Egert,et al.  Linear Solvation Energy Relationships (LSERs) for Robust Prediction of Partition Coefficients between Low Desity Polyethylene and Water Part II: Model Evaluation and Benchmarking. , 2022, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

[8]  C. Panayiotou,et al.  Towards a predictive thermodynamic description of sorption processes in polymers: The synergy between theoretical EoS models and vibrational spectroscopy , 2020 .

[9]  Thomas Brouwer,et al.  Model Performances Evaluated for Infinite Dilution Activity Coefficients Prediction at 298.15 K , 2019, Industrial & Engineering Chemistry Research.

[10]  R. Privat,et al.  Estimation of Solvation Quantities from Experimental Thermodynamic Data: Development of the Comprehensive CompSol Databank for Pure and Mixed Solutes , 2017 .

[11]  V. Hatzimanikatis,et al.  Toward a Simple Predictive Molecular Thermodynamic Model for Bulk Phases and Interfaces , 2017 .

[12]  C. Panayiotou,et al.  Dimerization of Carboxylic Acids: An Equation of State Approach. , 2017, The journal of physical chemistry. B.

[13]  V. Hatzimanikatis,et al.  Solvation quantities from a COSMO-RS equation of state , 2015 .

[14]  K. Goss.  Predicting equilibrium sorption of neutral organic chemicals into various polymeric sorbents with COSMO-RS. , 2011, Analytical chemistry.

[15]  Michael H. Abraham,et al.  Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes , 2010 .

[16]  Michael H Abraham,et al.  Prediction of solubility of drugs and other compounds in organic solvents. , 2010, Journal of pharmaceutical sciences.

[17]  C. Laurence,et al.  Lewis Basicity and Affinity Scales , 2009 .

[18]  C. Poole,et al.  Determination of solute descriptors by chromatographic methods. , 2009, Analytica chimica acta.

[19]  Cory C. Pye,et al.  An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package ― Part II. COSMO for real solvents , 2009 .

[20]  C. Hansen,et al.  Hansen Solubility Parameters : A User's Handbook, Second Edition , 2007 .

[21]  M. Abraham,et al.  The analysis of solvation in ionic liquids and organic solvents using the Abraham linear free energy relationship , 2006 .

[22]  K. Goss.  Predicting the equilibrium partitioning of organic compounds using just one linear solvation energy relationship (LSER) , 2005 .

[23]  Jürgen Gmehling,et al.  Performance of a Conductor-Like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods , 2005 .

[24]  Adam Ibrahim,et al.  Determination of sets of solute descriptors from chromatographic measurements. , 2004, Journal of chromatography. A.

[25]  Stanley I. Sandler,et al.  A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model , 2002 .

[26]  C. Hansen.  Hansen Solubility Parameters: A User's Handbook , 1999 .

[27]  A. Leo,et al.  Correlation and estimation of gas-chloroform and water-chloroform partition coefficients by a linear free energy relationship method. , 1999, Journal of pharmaceutical sciences.

[28]  D. Missopolinou,et al.  Hydrogen-Bonding Cooperativity and Competing Inter- and Intramolecular Associations: A Unified Approach , 1998 .

[29]  I. Sanchez,et al.  Hydrogen bonding in fluids: an equation-of-state approach , 1991 .

[30]  Boris Veytsman.  Are lattice models valid for fluids with hydrogen bonds , 1990 .

[31]  Allan F. M. Barton,et al.  CRC Handbook of solubility parameters and other cohesion parameters , 1983 .

[32]  V. Hatzimanikatis,et al.  The solubility parameters of carbon dioxide and ionic liquids: Are they an enigma? , 2021 .

[33]  A. Klamt,et al.  Using COSMO-RS for the Prediction of Vapor- Liquid Equilibria, Gas Solubilities and Partition Coefficients in Polymers , 2014 .

[34]  P. V. van Noort.  Estimation of Abraham solvation equation coefficients for hydrogen bond formation from Abraham solvation parameters for solute acidity and basicity. , 2013, Chemosphere.

[35]  P. V. Noort,et al.  Solvation thermodynamics and the physical – chemical meaning of the constant in Abraham solvation equations , 2012 .

[36]  Michael H. Abraham,et al.  Hydrogen bonding. Part 45.† The solubility of gases and vapours in methanol at 298 K: An LFER analysis , 1998 .

[37]  Michael H. Abraham,et al.  The solubility of gases and vapours in ethanol - the connection between gaseous solubility and water-solvent partition , 1998 .