The Experts below are selected from a list of 303 Experts worldwide ranked by ideXlab platform
Ibrahim A. Alsarra - One of the best experts on this subject based on the ideXlab platform.
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Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics.
Molecules (Basel Switzerland), 2020Co-Authors: Faiyaz Shakeel, Ibrahim A. Alsarra, Sultan AlshehriAbstract:This study was aimed to find out the solubility, Thermodynamic Behavior, Hansen solubility parameters and molecular interactions of an antiviral drug emtricitabine (ECT) in various "[polyethylene glycol-400 (PEG-400) + water]" mixtures. The solubility of ECT in mole fraction was determined at "T = 298.2 to 318.2 K" and "p = 0.1 MPa" using an isothermal method. The experimental solubilities of ECT in mole fraction were validated and correlated using various computational models which includes "Van't Hoff, Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van't Hoff models". All the models performed well in terms of model correlation. The solubility of ECT was increased with the raise in temperature in all "PEG-400 + water" mixtures studied. The highest and lowest solubility values of ECT were found in pure PEG-400 (1.45 × 10-1) at "T = 318.2 K" and pure water (7.95 × 10-3) at "T = 298.2 K", respectively. The quantitative values of activity coefficients indicated higher interactions at molecular level in ECT and PEG-400 combination compared with ECT and water combination. "Apparent Thermodynamic analysis" showed an "endothermic and entropy-driven dissolution" of ECT in all "PEG-400 + water" combinations studied. The solvation nature of ECT was found an "enthalpy-driven" in each "PEG-400 + water" mixture studied.
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solubility and Thermodynamic Behavior of vanillin in propane 1 2 diol water cosolvent mixtures at different temperatures
Food Chemistry, 2015Co-Authors: Faiyaz Shakeel, Nasir A. Siddiqui, Fars K. Alanazi, Ibrahim A. AlsarraAbstract:Abstract The solubilities of bioactive compound vanillin were measured in various propane-1,2-diol + water cosolvent mixtures at T = (298–318) K and p = 0.1 MPa. The experimental solubility of crystalline vanillin was determined and correlated with calculated solubility. The results showed good correlation of experimental solubilities of crystalline vanillin with calculated ones. The mole fraction solubility of crystalline vanillin was recorded highest in pure propane-1,2-diol (7.06 × 10−2 at 298 K) and lowest in pure water (1.25 × 10−3 at 298 K) over the entire temperature range investigated. Thermodynamic Behavior of vanillin in various propane-1,2-diol + water cosolvent mixtures was evaluated by Van’t Hoff and Krug analysis. The results showed an endothermic, spontaneous and an entropy-driven dissolution of crystalline vanillin in all propane-1,2-diol + water cosolvent mixtures. Based on solubility data of this work, vanillin has been considered as soluble in water and freely soluble in propane-1,2-diol.
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Solubility and Thermodynamic Behavior of vanillin in propane-1,2-diol + water cosolvent mixtures at different temperatures
Food Chemistry, 2015Co-Authors: Faiyaz Shakeel, Nasir A. Siddiqui, Fars K. Alanazi, Ibrahim A. AlsarraAbstract:Abstract The solubilities of bioactive compound vanillin were measured in various propane-1,2-diol + water cosolvent mixtures at T = (298–318) K and p = 0.1 MPa. The experimental solubility of crystalline vanillin was determined and correlated with calculated solubility. The results showed good correlation of experimental solubilities of crystalline vanillin with calculated ones. The mole fraction solubility of crystalline vanillin was recorded highest in pure propane-1,2-diol (7.06 × 10−2 at 298 K) and lowest in pure water (1.25 × 10−3 at 298 K) over the entire temperature range investigated. Thermodynamic Behavior of vanillin in various propane-1,2-diol + water cosolvent mixtures was evaluated by Van’t Hoff and Krug analysis. The results showed an endothermic, spontaneous and an entropy-driven dissolution of crystalline vanillin in all propane-1,2-diol + water cosolvent mixtures. Based on solubility data of this work, vanillin has been considered as soluble in water and freely soluble in propane-1,2-diol.
Anna C Balazs - One of the best experts on this subject based on the ideXlab platform.
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Thermodynamic Behavior of particle diblock copolymer mixtures simulation and theory
Macromolecules, 2000Co-Authors: Valeriy V. Ginzburg, Anna C BalazsAbstract:We investigate the influence of hard nanoparticles on the phase Behavior of diblock copolymers. Using Monte Carlo simulations, we obtain phase diagrams as a function of the nanoparticle size and concentration. When the size of the nanoparticles becomes comparable to the radius of gyration of the minority (A) block, we observe the formation of new superstructures, where the particles self-assemble inside the copolymer micelles. We develop a theoretical model, based on the strong segregation limit approximation, and show that these self-assembled structures can be either stable or metastable, depending on the particle size and volume fraction. The formation of such phases is due to the interplay between the particle−particle excluded-volume interactions, preferential particle/block-A interactions, and the enthalpic and stretching interactions within the diblock.
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Thermodynamic Behavior of particle/diblock copolymer mixtures: simulation and theory
Macromolecules, 2000Co-Authors: June Huh, Valeriy V. Ginzburg, Anna C BalazsAbstract:We investigate the influence of hard nanoparticles on the phase Behavior of diblock copolymers. Using Monte Carlo simulations, we obtain phase diagrams as a function of the nanoparticle size and concentration. When the size of the nanoparticles becomes comparable to the radius of gyration of the minority (A) block, we observe the formation of new superstructures, where the particles self-assemble inside the copolymer micelles. We develop a theoretical model, based on the strong segregation limit approximation, and show that these self-assembled structures can be either stable or metastable, depending on the particle size and volume fraction. The formation of such phases is due to the interplay between the particle?particle excluded-volume interactions, preferential particle/block-A interactions, and the enthalpic and stretching interactions within the diblock. We investigate the influence of hard nanoparticles on the phase Behavior of diblock copolymers. Using Monte Carlo simulations, we obtain phase diagrams as a function of the nanoparticle size and concentration. When the size of the nanoparticles becomes comparable to the radius of gyration of the minority (A) block, we observe the formation of new superstructures, where the particles self-assemble inside the copolymer micelles. We develop a theoretical model, based on the strong segregation limit approximation, and show that these self-assembled structures can be either stable or metastable, depending on the particle size and volume fraction. The formation of such phases is due to the interplay between the particle?particle excluded-volume interactions, preferential particle/block-A interactions, and the enthalpic and stretching interactions within the diblock.
Jan V. Sengers - One of the best experts on this subject based on the ideXlab platform.
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Global Thermodynamic Behavior of fluid mixtures in the critical region.
Physical Review E, 1993Co-Authors: S. Tang, Jan V. SengersAbstract:In a previous publication [Z. Y. Chen, A. Abbaci, S. Tang, and J.V. Sengers, Phys. Rev. A 42, 4470 (1990)] a renormalized Landau expansion was constructed for the Thermodynamic free energy of one-component fluids that incorporates the crossover from singular Thermodynamic Behavior at the critical point to regular Behavior far away from the critical point. In the present paper the approach is extended to obtain a crossover free energy for binary fluid mixtures in the region around the vapor-liquid critical line. The Thermodynamic equations thus obtained are compared with experimental equation-of-state and specific-heat data for mixtures of carbon dioxide and ethane.
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An improved parametric crossover model for the Thermodynamic properties of fluids in the critical region
International Journal of Thermophysics, 1993Co-Authors: S. B. Kiselev, Jan V. SengersAbstract:An improved parametric equation for the Thermodynamic properties of fluids is presented that incorporates the crossover from singular Thermodynamic Behavior in the immediate vicinity of the critical point to regular Thermodynamic Behavior far away from the critical point. Based on a comparison with experimental data for ethane and methane, it is demonstrated that the crossover model is capable of representing the Thermodynamic properties of fluids in a large range of temperatures and densities around the critical point.
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a parametric model for the global Thermodynamic Behavior of fluids in the critical region
Journal of Chemical Physics, 1992Co-Authors: J Luettmerstrathmann, S. Tang, Jan V. SengersAbstract:The asymptotic Thermodynamic Behavior of fluids near the critical point is described by scaling laws with universal scaling functions that can be represented by parametric equations. In this paper, we derive a more general parametric model that incorporates the crossover from singular Thermodynamic Behavior near the critical point to regular classical Thermodynamic Behavior far away from the critical point. Using ethane as an example, we show that such a parametric crossover model yields an accurate representation of the Thermodynamic properties of fluids in a large region around the critical point.
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Thermodynamic Behavior of fluid mixtures in the critical region
Fluid Phase Equilibria, 1992Co-Authors: S. Tang, Jan V. SengersAbstract:Abstract A procedure for constructing a Thermodynamic free energy of fluid mixtures is developed which incorporates the crossover from singular Thermodynamic Behavior near the vapor-liquid critical line to regular Behavior far away from the critical line. It is realized by combining the ideas of Griffiths and Wheeler for fluid mixtures with the crossover theory previously developed by Chen et al. for one-component fluids. The resulting Thermodynamic free energy yields a satisfactory representation of both P - ϱ - T - x data and CV,x data for mixtures of carbon dioxide and ethane in a substantial range of temperatures and densities around the critical line.
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Thermodynamic Behavior of fluids in the supercritical region
Journal of Supercritical Fluids, 1991Co-Authors: S. Tang, Jan V. SengersAbstract:Abstract A procedure for constructing a Thermodynamic free energy of fluids is discussed which incorporates a crossover from singular Thermodynamic Behavior at the critical point to regular Thermodynamic Behavior far away from the critical point. The, procedure is based on an approximate solution of the renormalization-group theory of critical phenomena and yields an accurate representation of the Thermodynamic properties of fluids in a large range of temperatures and densities around the critical point.
Faiyaz Shakeel - One of the best experts on this subject based on the ideXlab platform.
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Solubility, Hansen Solubility Parameters and Thermodynamic Behavior of Emtricitabine in Various (Polyethylene Glycol-400 + Water) Mixtures: Computational Modeling and Thermodynamics.
Molecules (Basel Switzerland), 2020Co-Authors: Faiyaz Shakeel, Ibrahim A. Alsarra, Sultan AlshehriAbstract:This study was aimed to find out the solubility, Thermodynamic Behavior, Hansen solubility parameters and molecular interactions of an antiviral drug emtricitabine (ECT) in various "[polyethylene glycol-400 (PEG-400) + water]" mixtures. The solubility of ECT in mole fraction was determined at "T = 298.2 to 318.2 K" and "p = 0.1 MPa" using an isothermal method. The experimental solubilities of ECT in mole fraction were validated and correlated using various computational models which includes "Van't Hoff, Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van't Hoff models". All the models performed well in terms of model correlation. The solubility of ECT was increased with the raise in temperature in all "PEG-400 + water" mixtures studied. The highest and lowest solubility values of ECT were found in pure PEG-400 (1.45 × 10-1) at "T = 318.2 K" and pure water (7.95 × 10-3) at "T = 298.2 K", respectively. The quantitative values of activity coefficients indicated higher interactions at molecular level in ECT and PEG-400 combination compared with ECT and water combination. "Apparent Thermodynamic analysis" showed an "endothermic and entropy-driven dissolution" of ECT in all "PEG-400 + water" combinations studied. The solvation nature of ECT was found an "enthalpy-driven" in each "PEG-400 + water" mixture studied.
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solubility and Thermodynamic Behavior of vanillin in propane 1 2 diol water cosolvent mixtures at different temperatures
Food Chemistry, 2015Co-Authors: Faiyaz Shakeel, Nasir A. Siddiqui, Fars K. Alanazi, Ibrahim A. AlsarraAbstract:Abstract The solubilities of bioactive compound vanillin were measured in various propane-1,2-diol + water cosolvent mixtures at T = (298–318) K and p = 0.1 MPa. The experimental solubility of crystalline vanillin was determined and correlated with calculated solubility. The results showed good correlation of experimental solubilities of crystalline vanillin with calculated ones. The mole fraction solubility of crystalline vanillin was recorded highest in pure propane-1,2-diol (7.06 × 10−2 at 298 K) and lowest in pure water (1.25 × 10−3 at 298 K) over the entire temperature range investigated. Thermodynamic Behavior of vanillin in various propane-1,2-diol + water cosolvent mixtures was evaluated by Van’t Hoff and Krug analysis. The results showed an endothermic, spontaneous and an entropy-driven dissolution of crystalline vanillin in all propane-1,2-diol + water cosolvent mixtures. Based on solubility data of this work, vanillin has been considered as soluble in water and freely soluble in propane-1,2-diol.
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Solubility and Thermodynamic Behavior of vanillin in propane-1,2-diol + water cosolvent mixtures at different temperatures
Food Chemistry, 2015Co-Authors: Faiyaz Shakeel, Nasir A. Siddiqui, Fars K. Alanazi, Ibrahim A. AlsarraAbstract:Abstract The solubilities of bioactive compound vanillin were measured in various propane-1,2-diol + water cosolvent mixtures at T = (298–318) K and p = 0.1 MPa. The experimental solubility of crystalline vanillin was determined and correlated with calculated solubility. The results showed good correlation of experimental solubilities of crystalline vanillin with calculated ones. The mole fraction solubility of crystalline vanillin was recorded highest in pure propane-1,2-diol (7.06 × 10−2 at 298 K) and lowest in pure water (1.25 × 10−3 at 298 K) over the entire temperature range investigated. Thermodynamic Behavior of vanillin in various propane-1,2-diol + water cosolvent mixtures was evaluated by Van’t Hoff and Krug analysis. The results showed an endothermic, spontaneous and an entropy-driven dissolution of crystalline vanillin in all propane-1,2-diol + water cosolvent mixtures. Based on solubility data of this work, vanillin has been considered as soluble in water and freely soluble in propane-1,2-diol.
Nasir A. Siddiqui - One of the best experts on this subject based on the ideXlab platform.
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solubility and Thermodynamic Behavior of vanillin in propane 1 2 diol water cosolvent mixtures at different temperatures
Food Chemistry, 2015Co-Authors: Faiyaz Shakeel, Nasir A. Siddiqui, Fars K. Alanazi, Ibrahim A. AlsarraAbstract:Abstract The solubilities of bioactive compound vanillin were measured in various propane-1,2-diol + water cosolvent mixtures at T = (298–318) K and p = 0.1 MPa. The experimental solubility of crystalline vanillin was determined and correlated with calculated solubility. The results showed good correlation of experimental solubilities of crystalline vanillin with calculated ones. The mole fraction solubility of crystalline vanillin was recorded highest in pure propane-1,2-diol (7.06 × 10−2 at 298 K) and lowest in pure water (1.25 × 10−3 at 298 K) over the entire temperature range investigated. Thermodynamic Behavior of vanillin in various propane-1,2-diol + water cosolvent mixtures was evaluated by Van’t Hoff and Krug analysis. The results showed an endothermic, spontaneous and an entropy-driven dissolution of crystalline vanillin in all propane-1,2-diol + water cosolvent mixtures. Based on solubility data of this work, vanillin has been considered as soluble in water and freely soluble in propane-1,2-diol.
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Solubility and Thermodynamic Behavior of vanillin in propane-1,2-diol + water cosolvent mixtures at different temperatures
Food Chemistry, 2015Co-Authors: Faiyaz Shakeel, Nasir A. Siddiqui, Fars K. Alanazi, Ibrahim A. AlsarraAbstract:Abstract The solubilities of bioactive compound vanillin were measured in various propane-1,2-diol + water cosolvent mixtures at T = (298–318) K and p = 0.1 MPa. The experimental solubility of crystalline vanillin was determined and correlated with calculated solubility. The results showed good correlation of experimental solubilities of crystalline vanillin with calculated ones. The mole fraction solubility of crystalline vanillin was recorded highest in pure propane-1,2-diol (7.06 × 10−2 at 298 K) and lowest in pure water (1.25 × 10−3 at 298 K) over the entire temperature range investigated. Thermodynamic Behavior of vanillin in various propane-1,2-diol + water cosolvent mixtures was evaluated by Van’t Hoff and Krug analysis. The results showed an endothermic, spontaneous and an entropy-driven dissolution of crystalline vanillin in all propane-1,2-diol + water cosolvent mixtures. Based on solubility data of this work, vanillin has been considered as soluble in water and freely soluble in propane-1,2-diol.
