The Experts below are selected from a list of 12342 Experts worldwide ranked by ideXlab platform
William E. Acree - One of the best experts on this subject based on the ideXlab platform.
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Comment on “Solution Thermodynamics of Benzotriazole in Different Pure Solvents”
Journal of Chemical & Engineering Data, 2018Co-Authors: William E. AcreeAbstract:Mole fraction solubilities were calculated for benzotriazole dissolved in methanol, 2-propanol, 2-butanol, and acetonitrile at 298.15 K based on the published equation coefficients for the modified Apelblat model. In the case of the three Alcohol Solvents, the calculated mole fraction solubilities of benzotriazole were found to differ by up to 30% from the back-calculated values that the authors reported in their published paper. A significantly larger difference was found in the case of benzotriazole dissolved in acetonitrile.
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Solubility of anthracene in binary toluene + Alcohol solvent mixtures at 298.15 K
Physics and Chemistry of Liquids, 2012Co-Authors: Nishu Dabadge, Amy Tian, Anastasia Wilson, Maribel Barrera, Megan Payne, Erika Sanchez, Troy Sanchez, William E. AcreeAbstract:Experimental solubilities are reported for anthracene in eight binary toluene + Alcohol solvent mixtures at 298.15 K. The Alcohol Solvents studied were 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 2-propanol, 2-butanol, 2-methyl-1-propanol and 3-methyl-1-butanol. Results of these measurements were used to test a mathematical representation based on the combined nearly ideal binary solvent (NIBS)/Redlich–Kister equation. For the eight systems studied, the combined NIBS/Redlich–Kister equation was found to accurately describe the experimental data, with an average absolute deviation between the measured and back-calculated values being approximately ±0.4%.
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Development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
Fluid Phase Equilibria, 2010Co-Authors: Laura M. Sprunger, William E. Acree, Sai S. Achi, Michael H. AbrahamAbstract:This article discusses the development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
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Development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
Fluid Phase Equilibria, 2009Co-Authors: Laura M. Sprunger, William E. Acree, Sai S. Achi, Michael H. AbrahamAbstract:Abstract Gas-to-Alcohol partition coefficients have been compiled for 1880 different solute–Alcohol combinations, which comprised 23 acyclic Alcohols. These partition coefficients were converted into water-to-Alcohol partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-Alcohol and water-to-Alcohol partition coefficient data to within 0.14 and 0.15 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH 3 , CH 2 , CH, C and OH fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous Alcohol Solvents.
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enthalpy of solvation correlations for gaseous solutes dissolved in Alcohol Solvents based on the abraham model
Qsar & Combinatorial Science, 2008Co-Authors: Christina Mintz, William E. Acree, Tara Ladlie, Katherine Burton, Michael Clark, Michael H. AbrahamAbstract:Data have been assembled from the published literature on the enthalpies of solvation for more than 100 compounds dissolved in methanol, ethanol, and 1-butanol. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental enthalpies of solvation to within Standard Deviations (SDs) of 2.70 kJ/mol (methanol), 2.53 kJ/mol (ethanol), and 2.34 kJ/mol (1-butanol). The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of methanol span a range of about 105 kJ/mol. Division of the experimental values into a training set and a test set shows that there is no bias in predictions, and that the predictive capability of the correlations is better than 3.0 kJ/mol.
Michael H. Abraham - One of the best experts on this subject based on the ideXlab platform.
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Development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
Fluid Phase Equilibria, 2010Co-Authors: Laura M. Sprunger, William E. Acree, Sai S. Achi, Michael H. AbrahamAbstract:This article discusses the development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
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Development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
Fluid Phase Equilibria, 2009Co-Authors: Laura M. Sprunger, William E. Acree, Sai S. Achi, Michael H. AbrahamAbstract:Abstract Gas-to-Alcohol partition coefficients have been compiled for 1880 different solute–Alcohol combinations, which comprised 23 acyclic Alcohols. These partition coefficients were converted into water-to-Alcohol partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-Alcohol and water-to-Alcohol partition coefficient data to within 0.14 and 0.15 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH 3 , CH 2 , CH, C and OH fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous Alcohol Solvents.
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enthalpy of solvation correlations for gaseous solutes dissolved in Alcohol Solvents based on the abraham model
Qsar & Combinatorial Science, 2008Co-Authors: Christina Mintz, William E. Acree, Tara Ladlie, Katherine Burton, Michael Clark, Michael H. AbrahamAbstract:Data have been assembled from the published literature on the enthalpies of solvation for more than 100 compounds dissolved in methanol, ethanol, and 1-butanol. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental enthalpies of solvation to within Standard Deviations (SDs) of 2.70 kJ/mol (methanol), 2.53 kJ/mol (ethanol), and 2.34 kJ/mol (1-butanol). The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of methanol span a range of about 105 kJ/mol. Division of the experimental values into a training set and a test set shows that there is no bias in predictions, and that the predictive capability of the correlations is better than 3.0 kJ/mol.
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Supplemental Material: Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Alcohol Solvents Based on the Abraham Model
2007Co-Authors: Christina Mintz, William E. Acree, Tara Ladlie, Katherine Burton, Michael P. Clark, Michael H. AbrahamAbstract:This document includes supplemental material to an article titled "Enthalpy of solvation correlations for gaseous solutes dissolved in Alcohol Solvents based on the Abraham model," published in QSAR & Combinatorial Science.
Somchai Thongtem - One of the best experts on this subject based on the ideXlab platform.
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effect of Alcohol Solvents on tio2 films prepared by sol gel method
Surface & Coatings Technology, 2017Co-Authors: Orawan Wiranwetchayan, Surin Promnopas, Titipun Thongtem, Arnon Chaipanich, Somchai ThongtemAbstract:Abstract The TiO2 (anatase) films were prepared by sol-gel method using titanium (IV) isopropoxide (TTIP) as a precursor and polyvinylpyrrolidone (PVP) as a polymeric precursor dissolved in different Alcohol Solvents (methanol, ethanol, isopropanol and 1-butanol) and were heated treatment at 450 °C for 1 h. In this research, the Alcohol Solvents have significant influence on the morphology, crystalline degree and energy band gap of TiO2. The number of carbon, boiling point, dielectric constant and viscosity of Alcohol Solvents were the main factor influencing the size of TiO2 nanoparticles. The Alcohol solvent with higher boiling point and viscosity, and long length of carbon chain can lead to the smaller crystallite size. The number of carbon and viscosity of solvent and crystallite size can play the important role in the agglomeration of particles. The energy band gaps of the films determined by UV-visible spectroscopy were in the 3.00–3.30 eV range.
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Effect of Alcohol Solvents on TiO2 films prepared by sol–gel method
Surface and Coatings Technology, 2017Co-Authors: Orawan Wiranwetchayan, Surin Promnopas, Titipun Thongtem, Arnon Chaipanich, Somchai ThongtemAbstract:Abstract The TiO2 (anatase) films were prepared by sol-gel method using titanium (IV) isopropoxide (TTIP) as a precursor and polyvinylpyrrolidone (PVP) as a polymeric precursor dissolved in different Alcohol Solvents (methanol, ethanol, isopropanol and 1-butanol) and were heated treatment at 450 °C for 1 h. In this research, the Alcohol Solvents have significant influence on the morphology, crystalline degree and energy band gap of TiO2. The number of carbon, boiling point, dielectric constant and viscosity of Alcohol Solvents were the main factor influencing the size of TiO2 nanoparticles. The Alcohol solvent with higher boiling point and viscosity, and long length of carbon chain can lead to the smaller crystallite size. The number of carbon and viscosity of solvent and crystallite size can play the important role in the agglomeration of particles. The energy band gaps of the films determined by UV-visible spectroscopy were in the 3.00–3.30 eV range.
Wei Ting Lin - One of the best experts on this subject based on the ideXlab platform.
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one pot synthesis of submicrometer sized ce yag spherical particles by solvothermal process using Alcohol Solvents
Journal of the American Ceramic Society, 2015Co-Authors: Wei Ting LinAbstract:A rapid synthesis method for preparing homogeneous and submicrometer-sized cerium-doped yttrium aluminum garnet (Ce:YAG) particles was proposed in this work. Instead of precipitating the YAG amorphous precursor prior to the solvothermal process, cerium, yttrium, and aluminum nitrates were dissolved in Alcoholic Solvents to form transparent and clear solutions that were directly transferred into the stainless autoclave to undergo the solvothermal reaction. Four different Alcohol Solvents, that is, ethanol, 2-propanol, 2-butanol, and tert-butanol, were used as the reaction medium. The crystallization mechanisms in correlation with the Alcohol solvent properties, such as the supercritical point and the dielectric constant, were discussed. The interaction between the Alcohol solvent and the precursor salts were also investigated. Well-dispersed and spherical Ce:YAG particles in size ranging from 200 to 350 nm were obtained in one pot via solvothermal reaction at 285°C from 5 to 8 h.
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One‐Pot Synthesis of Submicrometer‐Sized Ce:YAG Spherical Particles by Solvothermal Process Using Alcohol Solvents
Journal of the American Ceramic Society, 2015Co-Authors: Wei Ting LinAbstract:A rapid synthesis method for preparing homogeneous and submicrometer-sized cerium-doped yttrium aluminum garnet (Ce:YAG) particles was proposed in this work. Instead of precipitating the YAG amorphous precursor prior to the solvothermal process, cerium, yttrium, and aluminum nitrates were dissolved in Alcoholic Solvents to form transparent and clear solutions that were directly transferred into the stainless autoclave to undergo the solvothermal reaction. Four different Alcohol Solvents, that is, ethanol, 2-propanol, 2-butanol, and tert-butanol, were used as the reaction medium. The crystallization mechanisms in correlation with the Alcohol solvent properties, such as the supercritical point and the dielectric constant, were discussed. The interaction between the Alcohol solvent and the precursor salts were also investigated. Well-dispersed and spherical Ce:YAG particles in size ranging from 200 to 350 nm were obtained in one pot via solvothermal reaction at 285°C from 5 to 8 h.
Laura M. Sprunger - One of the best experts on this subject based on the ideXlab platform.
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Development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
Fluid Phase Equilibria, 2010Co-Authors: Laura M. Sprunger, William E. Acree, Sai S. Achi, Michael H. AbrahamAbstract:This article discusses the development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
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Development of correlations for describing solute transfer into acyclic Alcohol Solvents based on the Abraham model and fragment-specific equation coefficients
Fluid Phase Equilibria, 2009Co-Authors: Laura M. Sprunger, William E. Acree, Sai S. Achi, Michael H. AbrahamAbstract:Abstract Gas-to-Alcohol partition coefficients have been compiled for 1880 different solute–Alcohol combinations, which comprised 23 acyclic Alcohols. These partition coefficients were converted into water-to-Alcohol partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-Alcohol and water-to-Alcohol partition coefficient data to within 0.14 and 0.15 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH 3 , CH 2 , CH, C and OH fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous Alcohol Solvents.
