Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr.
Important biochemical and industrial processes occur in both aqueous and organic solutions. This volume is the second part of an earlier Special Issue titled Modeling of Liquids Behavior: Experiments, Theory and Simulations, and honors Professor William Acree Jr. for his extensive and outstanding re...
में बचाया:
| स्वरूप: | Online |
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| भाषा: | अंग्रेज़ी |
| प्रकाशित: |
MDPI - Multidisciplinary Digital Publishing Institute
2025
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| विषय: | |
| ऑनलाइन पहुंच: | ONIX_20250812T110751_9783725841912_372 |
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| _version_ | 1869516972372262912 |
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| collection | Directory of Open Access Books |
| description | Important biochemical and industrial processes occur in both aqueous and organic solutions. This volume is the second part of an earlier Special Issue titled Modeling of Liquids Behavior: Experiments, Theory and Simulations, and honors Professor William Acree Jr. for his extensive and outstanding research accomplishments in thermodynamic and physicochemical properties of non-electrolyte solutions. Leading solution and computational chemistry experts have collaborated to create an informative and valuable scientific resource for academicians, beginning and experienced scientists, and engineers. The comprehensive review article and nineteen original research papers published in the Special Issue report new experimental diffusion, solubility, and partition coefficient data for both aqueous and organic solutions, vapor pressure, and enthalpy of vaporization data for ionic liquids and molecular organic compounds. Expressions based on quantitative structure–property relationships (QSPRs), atom fragment additivity approaches, machine learning models, and quantum mechanical methods are provided for predicting enthalpies and free energies of solvation, partition coefficients for solute transfer into membranes and into organic solvents from both water and the gas phase, and Abraham model solute descriptor values. The diverse range of topics covered in this Special Issue documents the important research currently being conducted into liquid solutions. |
| format | Online |
| id | doab-20.500.12854ir-165617 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2025 |
| publishDateRange | 2025 |
| publishDateSort | 2025 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1656172025-08-12T10:00:40Z Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr. Acree, Jr. Saavedra, Juan extractables exhaustive extraction exaggerated extraction lipids low density polyethylene (LDPE) Abraham solvation model group-additivity method Gauss–Seidel diagonalisation partition coefficient logPow logKoa logKaw phenothiazine {cosolvent (1) + water (2)} mixtures cosolvency dissolution thermodynamics preferential solvation IKBI 5α-androstane 5α-cholestane vaporization enthalpy vapor pressure correlation gas chromatography isobutyl acetate solvent solubility crystalline organic solutes Abraham model correlations deep eutectic solvent hydrated lanthanide salts urea dipolarity/polarizability (π*) pyrene-1-carboxaldehyde Nile red aggregates pyranine Abraham general solvation model Abraham solute descriptors Abraham solvent parameters solvent comparison solvent replacement ChemLLaMA solvation solvation free energy solvation enthalpy artificial neural networks generalized-Born method ionic liquid vapour pressure enthalpy of vaporisation structure–property relationships solute-induced microstructural perturbation fundamental structure-making/breaking functions aqueous electrolyte solutions solution non-idealities solute–solvent intermolecular asymmetries Hepler’s criterion Jones–Dole’s B-coefficient-based criterion preferential solvation function Krichevskii parameter second osmotic virial coefficients hydrogen bonding enthalpy complexation equilibrium compensation relationship ionic liquids domain structure nanoheterogeneity molecular dynamics intramolecular hydrogen-bond formation oxybenzone solubility Abraham model solute descriptors group contribution methods machine learning solvation thermodynamics hydrogen bonding COSMO-RS sigma profiles intramolecular association fragrance compounds enthalpy of combustion enthalpy of vaporization enthalpy of formation hydrogenation enthalpy ethyl (2E)-3-phenylacrylate ethyl 3-phenylpropanoate diffusion coefficient cyclodextrins isoniazid solutions transport properties RISM solvent systems convolutional neural network equation of states noble gases condensed phases pressure dependence on concentration (in mol/L) dimer acid trimer acids dimerates trimerates plasticizers renewable sources Nile red dye solvatochromism polarity probe compatibility thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general Important biochemical and industrial processes occur in both aqueous and organic solutions. This volume is the second part of an earlier Special Issue titled Modeling of Liquids Behavior: Experiments, Theory and Simulations, and honors Professor William Acree Jr. for his extensive and outstanding research accomplishments in thermodynamic and physicochemical properties of non-electrolyte solutions. Leading solution and computational chemistry experts have collaborated to create an informative and valuable scientific resource for academicians, beginning and experienced scientists, and engineers. The comprehensive review article and nineteen original research papers published in the Special Issue report new experimental diffusion, solubility, and partition coefficient data for both aqueous and organic solutions, vapor pressure, and enthalpy of vaporization data for ionic liquids and molecular organic compounds. Expressions based on quantitative structure–property relationships (QSPRs), atom fragment additivity approaches, machine learning models, and quantum mechanical methods are provided for predicting enthalpies and free energies of solvation, partition coefficients for solute transfer into membranes and into organic solvents from both water and the gas phase, and Abraham model solute descriptor values. The diverse range of topics covered in this Special Issue documents the important research currently being conducted into liquid solutions. 2025-08-12T10:00:38Z 2025-08-12T10:00:38Z 2025 book ONIX_20250812T110751_9783725841912_372 9783725841912 9783725841929 https://directory.doabooks.org/handle/20.500.12854/165617 eng image/jpeg Attribution 4.0 International https://mdpi.com/books https://mdpi.com/books/pdfview/book/10970 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-7258-4192-9 10.3390/books978-3-7258-4192-9 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783725841912 9783725841929 334 open access |
| spellingShingle | extractables exhaustive extraction exaggerated extraction lipids low density polyethylene (LDPE) Abraham solvation model group-additivity method Gauss–Seidel diagonalisation partition coefficient logPow logKoa logKaw phenothiazine {cosolvent (1) + water (2)} mixtures cosolvency dissolution thermodynamics preferential solvation IKBI 5α-androstane 5α-cholestane vaporization enthalpy vapor pressure correlation gas chromatography isobutyl acetate solvent solubility crystalline organic solutes Abraham model correlations deep eutectic solvent hydrated lanthanide salts urea dipolarity/polarizability (π*) pyrene-1-carboxaldehyde Nile red aggregates pyranine Abraham general solvation model Abraham solute descriptors Abraham solvent parameters solvent comparison solvent replacement ChemLLaMA solvation solvation free energy solvation enthalpy artificial neural networks generalized-Born method ionic liquid vapour pressure enthalpy of vaporisation structure–property relationships solute-induced microstructural perturbation fundamental structure-making/breaking functions aqueous electrolyte solutions solution non-idealities solute–solvent intermolecular asymmetries Hepler’s criterion Jones–Dole’s B-coefficient-based criterion preferential solvation function Krichevskii parameter second osmotic virial coefficients hydrogen bonding enthalpy complexation equilibrium compensation relationship ionic liquids domain structure nanoheterogeneity molecular dynamics intramolecular hydrogen-bond formation oxybenzone solubility Abraham model solute descriptors group contribution methods machine learning solvation thermodynamics hydrogen bonding COSMO-RS sigma profiles intramolecular association fragrance compounds enthalpy of combustion enthalpy of vaporization enthalpy of formation hydrogenation enthalpy ethyl (2E)-3-phenylacrylate ethyl 3-phenylpropanoate diffusion coefficient cyclodextrins isoniazid solutions transport properties RISM solvent systems convolutional neural network equation of states noble gases condensed phases pressure dependence on concentration (in mol/L) dimer acid trimer acids dimerates trimerates plasticizers renewable sources Nile red dye solvatochromism polarity probe compatibility thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr. |
| title | Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr. |
| title_full | Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr. |
| title_fullStr | Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr. |
| title_full_unstemmed | Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr. |
| title_short | Recent Advances in the Behavior of Liquids in Honor of Prof. Dr. William Acree Jr. |
| title_sort | recent advances in the behavior of liquids in honor of prof dr william acree jr |
| topic | extractables exhaustive extraction exaggerated extraction lipids low density polyethylene (LDPE) Abraham solvation model group-additivity method Gauss–Seidel diagonalisation partition coefficient logPow logKoa logKaw phenothiazine {cosolvent (1) + water (2)} mixtures cosolvency dissolution thermodynamics preferential solvation IKBI 5α-androstane 5α-cholestane vaporization enthalpy vapor pressure correlation gas chromatography isobutyl acetate solvent solubility crystalline organic solutes Abraham model correlations deep eutectic solvent hydrated lanthanide salts urea dipolarity/polarizability (π*) pyrene-1-carboxaldehyde Nile red aggregates pyranine Abraham general solvation model Abraham solute descriptors Abraham solvent parameters solvent comparison solvent replacement ChemLLaMA solvation solvation free energy solvation enthalpy artificial neural networks generalized-Born method ionic liquid vapour pressure enthalpy of vaporisation structure–property relationships solute-induced microstructural perturbation fundamental structure-making/breaking functions aqueous electrolyte solutions solution non-idealities solute–solvent intermolecular asymmetries Hepler’s criterion Jones–Dole’s B-coefficient-based criterion preferential solvation function Krichevskii parameter second osmotic virial coefficients hydrogen bonding enthalpy complexation equilibrium compensation relationship ionic liquids domain structure nanoheterogeneity molecular dynamics intramolecular hydrogen-bond formation oxybenzone solubility Abraham model solute descriptors group contribution methods machine learning solvation thermodynamics hydrogen bonding COSMO-RS sigma profiles intramolecular association fragrance compounds enthalpy of combustion enthalpy of vaporization enthalpy of formation hydrogenation enthalpy ethyl (2E)-3-phenylacrylate ethyl 3-phenylpropanoate diffusion coefficient cyclodextrins isoniazid solutions transport properties RISM solvent systems convolutional neural network equation of states noble gases condensed phases pressure dependence on concentration (in mol/L) dimer acid trimer acids dimerates trimerates plasticizers renewable sources Nile red dye solvatochromism polarity probe compatibility thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general |
| topic_facet | extractables exhaustive extraction exaggerated extraction lipids low density polyethylene (LDPE) Abraham solvation model group-additivity method Gauss–Seidel diagonalisation partition coefficient logPow logKoa logKaw phenothiazine {cosolvent (1) + water (2)} mixtures cosolvency dissolution thermodynamics preferential solvation IKBI 5α-androstane 5α-cholestane vaporization enthalpy vapor pressure correlation gas chromatography isobutyl acetate solvent solubility crystalline organic solutes Abraham model correlations deep eutectic solvent hydrated lanthanide salts urea dipolarity/polarizability (π*) pyrene-1-carboxaldehyde Nile red aggregates pyranine Abraham general solvation model Abraham solute descriptors Abraham solvent parameters solvent comparison solvent replacement ChemLLaMA solvation solvation free energy solvation enthalpy artificial neural networks generalized-Born method ionic liquid vapour pressure enthalpy of vaporisation structure–property relationships solute-induced microstructural perturbation fundamental structure-making/breaking functions aqueous electrolyte solutions solution non-idealities solute–solvent intermolecular asymmetries Hepler’s criterion Jones–Dole’s B-coefficient-based criterion preferential solvation function Krichevskii parameter second osmotic virial coefficients hydrogen bonding enthalpy complexation equilibrium compensation relationship ionic liquids domain structure nanoheterogeneity molecular dynamics intramolecular hydrogen-bond formation oxybenzone solubility Abraham model solute descriptors group contribution methods machine learning solvation thermodynamics hydrogen bonding COSMO-RS sigma profiles intramolecular association fragrance compounds enthalpy of combustion enthalpy of vaporization enthalpy of formation hydrogenation enthalpy ethyl (2E)-3-phenylacrylate ethyl 3-phenylpropanoate diffusion coefficient cyclodextrins isoniazid solutions transport properties RISM solvent systems convolutional neural network equation of states noble gases condensed phases pressure dependence on concentration (in mol/L) dimer acid trimer acids dimerates trimerates plasticizers renewable sources Nile red dye solvatochromism polarity probe compatibility thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general |
| url | ONIX_20250812T110751_9783725841912_372 |