The dissolution behaviour and apparent thermodynamic analysis of doxifluridine in twelve pure solvents at various temperatures

Sha, Jiao; Ma, Teng; Zhao, Rui; Zhang, Pengshuai; Sun, Renren; Jiang, Gaoliang; Wan, Yameng; He, Hui; Yao, Xinding; Yu, Li; Li, Tao; Ren, Baozeng

doi:10.1016/j.jct.2020.106073

Cited by 36 publications

(5 citation statements)

References 41 publications

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“…Besides, the addition of the entrainer diluted the concentration of methanol and ethyl formate, and this weakened the force interactions too. 15 Among them, the NRTL model has a simple structure and the application scope is wide. Also, the NRTL model has been used many times in other literature studies 16−25 for alcohol and ester systems, and the deviation value between experimental data and calculated data by the NRTL model is the smallest.…”

Section: Resultsmentioning

confidence: 99%

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Vapor–Liquid Equilibrium Experiment and Process Simulation for Methanol and Ethyl Formate at 101.3 kPa

Han

Wang

et al. 2021

J. Chem. Eng. Data

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As there is an azeotropic point between methanol and ethyl formate, they cannot be completely separated by ordinary distillation. In this paper, extractive distillation was applied and dimethyl sulfoxide (DMSO) and ethylene glycol (EG) were used as entrainers. Vapor−liquid equilibrium (VLE) data for methanol−ethyl formate, methanol−ethyl formate−DMSO, and methanol− ethyl formate−EG were measured at 101.3 kPa, and the NRTL model was applied for data fitting. It was found that the experimental value and the calculated value were accordant well through the deviation value. Then, the NRTL model was used for simulation by Aspen Plus to achieve the separation goal, and it verified the feasibility of the experimental scheme.

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Section: Resultsmentioning

confidence: 99%

“…The development of multicomponent thermodynamics was based on local composition, which successfully correlated VLE data. Currently, the Wilson model, the NRTL model, and the UNIQUAC model are generally used for fitting VLE data . Among them, the NRTL model has a simple structure and the application scope is wide.…”

Section: Data Fittingmentioning

confidence: 99%

Vapor–Liquid Equilibrium Experiment and Process Simulation for Methanol and Ethyl Formate at 101.3 kPa

Han

Wang

et al. 2021

J. Chem. Eng. Data

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“…The solubility data of thiamethoxam in six monosolvents (acetone, dichloromethane, DMF, methyl acetate, ethyl acetate, and NMP) and two binary solvents (DMF + ethyl acetate and NMP + ethyl acetate) was conducted by employing the laser monitoring method at p = 0.1 MPa. The investigated temperature in each solvent was from 278.15 to 323.15 K (except for dichloromethane at 273.15–313.15 K), and the interval was 5.0 K. The experimental apparatus and procedures used in this research were the same as those previously published by the authors. , In our previous work, the sodium chloride–water system was used as the verification experiment system to verify the precision and accuracy of the experimental method and apparatus, and the results showed that the experimental method and apparatus utilized in our research had high reliability. Here, a brief introduction of the experimental apparatus and procedures is provided.…”

Section: Methodsmentioning

confidence: 90%

“…The measured temperature range for all selected solvents is 278.15–323.15 K, except for dichloromethane (273.15–313.15 K). Then, the solubility of thiamethoxam in six pure solvents was regressed by the λ h model, , modified Apelblat model, , Two-suffix Margules model, NRTL model , and UNIQUAC model, , while the solubility of thiamethoxam in two binary solvents was regressed by the λ h model, modified Apelblat model, three-suffix Margules model, NRTL model, and UNIQUAC model …”

Section: Introductionmentioning

confidence: 99%

Solubility Measurement and Correlation of the Insecticide Thiamethoxam in Six Monosolvents and Two Binary Solvent Mixtures at Different Temperatures

et al. 2020

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The solubility and thermodynamic properties of thiamethoxam in six monosolvents [acetone, dichloromethane, dimethylformamide (DMF), methyl acetate, ethyl acetate, and 1-methyl-2-pyrrolidinone (NMP)] and two binary solvents (DMF + ethyl acetate and NMP + ethyl acetate) were reported. Solubility determinations were performed through the laser monitoring method at T = (278.15−323.15) K and p = 0.1 MPa (except for dichloromethane at 273.15−313.15 K). The measurement results demonstrated that the solubility of thiamethoxam in all of the six monosolvents and two binary solvents shows a positive relationship with temperature variation, and with the mass fraction of positive solvents (DMF, NMP) in the binary mixed solvents increasing, the solubility of thiamethoxam also increases. Then, the recorded solubility of thiamethoxam in all monosolvents was regressed by λh, modified Apelblat, two-suffix Margules, NRTL, and UNIQUAC models, while the solubility of thiamethoxam in two binary solvents was regressed by λh, modified Apelblat, three-suffix Margules, NRTL, and UNIQUAC models. Furthermore, by calculating the deviation between the experimental data and the regression data, it shows that the modified Apelblat model can provide more accurate correlation results for the solubility of thiamethoxam in all of the solvents studied.

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“…Another important characteristic offered by theoretical models is apparent thermodynamic calculation, which allows for estimating basic thermodynamic functions of solvation directly from the solubility data. Based on this approach, it can be assessed whether the dissolution is enthalpy or entropy-driven [ 29 , 30 , 31 , 32 ]. Notably, the knowledge of entropic/enthalpic contributions to the Gibbs free energy, as well as activity coefficients in saturated solutions analysis, is of a particular importance in describing the crystallization process [ 33 , 34 ].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents

et al. 2021

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The thermodynamic properties of phenacetin in solid state and in saturated conditions in neat and binary solvents were characterized based on differential scanning calorimetry and spectroscopic solubility measurements. The temperature-related heat capacity values measured for both the solid and melt states were provided and used for precise determination of the values for ideal solubility, fusion thermodynamic functions, and activity coefficients in the studied solutions. Factors affecting the accuracy of these values were discussed in terms of various models of specific heat capacity difference for phenacetin in crystal and super-cooled liquid states. It was concluded that different properties have varying sensitivity in relation to the accuracy of heat capacity values. The values of temperature-related excess solubility in aqueous binary mixtures were interpreted using the Jouyban–Acree solubility equation for aqueous binary mixtures of methanol, DMSO, DMF, 1,4-dioxane, and acetonitrile. All binary solvent systems studied exhibited strong positive non-ideal deviations from an algebraic rule of mixing. Additionally, an interesting co-solvency phenomenon was observed with phenacetin solubility in aqueous mixtures with acetonitrile or 1,4-dioxane. The remaining three solvents acted as strong co-solvents.

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The dissolution behaviour and apparent thermodynamic analysis of doxifluridine in twelve pure solvents at various temperatures

Cited by 36 publications

References 41 publications

Vapor–Liquid Equilibrium Experiment and Process Simulation for Methanol and Ethyl Formate at 101.3 kPa

Vapor–Liquid Equilibrium Experiment and Process Simulation for Methanol and Ethyl Formate at 101.3 kPa

Solubility Measurement and Correlation of the Insecticide Thiamethoxam in Six Monosolvents and Two Binary Solvent Mixtures at Different Temperatures

Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents

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