Determination and Correlation of Solubilities of [HBth [CH3SO3] in Binary Solvent of Ethyl Benzoate and Alcohol

2013 ◽  
Vol 791-793 ◽  
pp. 171-174
Author(s):  
Zhi Jian He ◽  
Li Zhao ◽  
Zhuo Duan Wang ◽  
Hang Song ◽  
Qing Quan Bian
Keyword(s):  
Ionic Liquid ◽  
Scaling Up ◽  
Ethyl Benzoate ◽  
Binary Solvents ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Relative Deviation ◽  
Fusion Enthalpy ◽  
Increase Rate ◽  
Degree Of Association

The solubility of benzothiazolium methylsulfate ([HBt [CH3SO3]) in binary solvent mixtures of ethyl benzoate and alcohol was measured by equilibrium method. It was found that the solubility of [HBt [CH3SO3] in this mixture increased with alcohol in mixture scaling up at the same temperature. When the composition of mixture was the same, the increase rate of solubility of [HBt [CH3SO3] in binary solvents was very different at various temperature range. All the solubility data were correlated with three thermodynamics models, and the average relative deviation (ARD) of the calculated value of the three models and the measured values was all less than 2.94%. The thermodynamics models revealed that the degree of association of [HBt [CH3SO3] decreased with the alcohol ratio reducing in binary solvents, the fusion enthalpy of HBt [CH3SO3] remained the same at the range from 233.1K to 293.1K. At last, it was summarized that the change rule of content of related components of [HBt [CH3SO3] + ester + alcohol ternary system at different conditions, and some properties of the system were forecasted. The research in this text was hoped to provide meaningful reference for the use and recycling of ionic liquid.

Solubility and Thermodynamic Properties of L-Proline in Methanol-Dichloromethane Mixtures

2015 ◽  
Vol 775 ◽  
pp. 185-190
Author(s):  
Zi Dan Chen ◽  
Kun Kun Wang ◽  
Xue Li ◽  
Sheng Wang ◽  
Sha Wu ◽  
...  
Keyword(s):  
Dynamic Method ◽  
Binary Solvents ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Purification Process ◽  
Apelblat Equation ◽  
Modified Apelblat Equation ◽  
Monitoring Technique ◽  
Laser Monitoring ◽  
Hoff Equation

The solubility of L-proline in binary solvents of methanol and dichloromethane were measured by a dynamic method via a laser monitoring technique. In the binary solvent mixtures, the solubility increases with the increasing of temperature and proportion of the methanol. The experimental solubility were fitted to modified Apelblat equation and Van’t Hoff equation in this work can be used as essential data and models in the purification process of L-proline. The dissolving process is endothermic and the dissolution driving force converts from enthalpy-driving to entropy-driving.

Molecular Dynamics Study of Polysaccharides in Binary Solvent Mixtures of an Ionic Liquid and Water

2011 ◽  
Vol 115 (34) ◽  
pp. 10251-10258 ◽  
Author(s):  
Hanbin Liu ◽  
Kenneth L. Sale ◽  
Blake A. Simmons ◽  
Seema Singh
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Binary Solvent Mixtures

scholarly journals Review of the Cosolvency Models for Predicting Drug Solubility in Solvent Mixtures: An Update

2019 ◽  
Vol 22 ◽  
pp. 466-485 ◽  
Author(s):  
Abolghasem Jouyban
Keyword(s):  
Ab Initio ◽  
Mixed Solvents ◽  
Isothermal Condition ◽  
Solubility Data ◽  
Binary Solvents ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Mathematical Form ◽  
Independent Variables ◽  
Correlative Models

The cosolvency models frequently used in solubility data modeling of drugs in mixed solvents were reviewed and their accuracies for calculating the solubility of solutes were briefly discussed. The models could be used either for correlation of the generated solubility data with temperature, solvent composition etc or for prediction of unmeasured solubility data using interpolation/extrapolation technique. Concerning the correlation results employing a given number of independent variables, the accuracies of the investigated models were comparable, since they could be converted to a single mathematical form, however, the accuracies were decreased when models emplyed more independent variables. The accurate correlative models could be employed for prediction purpose and/or screening the experimental solubility data to detect possible outliers. With regard to prediction results, the best predictions were made using the cosolvency models trained by a minimum number of experimental data points and an ab initio accurate prediction is not possible so far and further mathematical efforts are needed to provide such a tool. To connect this gap between available accurate correlative models with the ab initio predictive model, the generally trained models for calculating the solubility of various drugs in different binary mixtures, various drugs in a given binary solvent and also a given drug in various binary solvents at isothermal condition and/or different temperatures were reported. Available accuracy criteria used in the recent publications were reviewed including mean percentage deviation (MPD). The MPD for correlative models is 1-10% whereas the corresponding range for predictive models is 10-80% depend on the model capability and the number of independent variables employed by the model. This is an update for a review article published in this journal in 2008.

scholarly journals Stability Analysis of Binary Solvent Mixtures for Herbal Phytochemical Extraction

2017 ◽  
Vol 5 (3) ◽  
pp. 128-133
Author(s):  
Siti Nuurul Huda Mohammad Azmin ◽  
Nor Alafiza Yunus ◽  
Sharifah Rafidah Wan Alwi ◽  
Mohd Shukri Mat Nor
Keyword(s):  
Molar Fraction ◽  
Solvent Mixture ◽  
Binary Solvents ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Energy Of Mixing ◽  
Gibbs Energy Of Mixing ◽  
Extraction Processes ◽  
The Stability ◽  
Phytochemical Extraction

Most of the extraction processes of herbal phytochemicals use solvent mixtures as a phytochemical transfer mediums. It is very important to predict the stability of solvent mixtures before it is used to extract herbal phytochemicals. In order to prevent any disturbance in the herbal extraction, the solvent mixtures must be in a single liquid phase (miscible to each other). In this study, the stabilities of five binary solvents (methanol-water, methanol-ethyl acetate, methanol-acetic acid, methanol-n-propionaldehyde, and methanol-isobutyraldehyde mixtures) that could be used in the current extraction processes are evaluated. The main purpose of this study is to evaluate these binary solvents in terms of their stability using Gibbs energy of mixing. The value of the function ?Gmix/RT is calculated for each solvent mixture. Then, the graph for ?Gmix/RT versus solvent molar fraction x is plotted. From this plot and the value of function ?Gmix/RT, it can be concluded whether the solvent mixtures are stable or unstable. From the analysis, all five binary mixtures are stable within the selected molar fraction making all mixtures are suitable to be applied in herbal extraction.

Solvation properties of protic ionic liquid–molecular solvent mixtures

2020 ◽  
Vol 22 (19) ◽  
pp. 10995-11011 ◽  
Author(s):  
Dilek Yalcin ◽  
Andrew J. Christofferson ◽  
Calum J. Drummond ◽  
Tamar L. Greaves
Keyword(s):  
Ionic Liquid ◽  
Binary Mixtures ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Protic Ionic Liquid ◽  
Ethylammonium Nitrate ◽  
Binary Solvent Systems ◽  
Solvent Systems ◽  
Molecular Solvents

In this study, we have investigated the solvation properties of binary mixtures of PILs with molecular solvents. The selected binary solvent systems are the PILs ethylammonium nitrate (EAN) and propylammonium nitrate (PAN) combined with either water, methanol, acetonitrile or DMSO.

scholarly journals Some Aryl-1,2,4-triazol-1-ium Phenacylids in Binary Hydroxyl Solvent Mixtures. Computational and Spectral Study

Symmetry ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1656
Author(s):  
Dana Ortansa Dorohoi ◽  
Dan Gheorghe Dimitriu ◽  
Ana Cezarina Morosanu ◽  
Nicoleta Puica Melniciuc ◽  
Ion Hurjui ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Spectral Characteristics ◽  
Binary Solvents ◽  
Visible Range ◽  
Quantum Mechanical ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Ternary Solutions

Four carbanion monosubstituted p-aryl-1,2,4-triazol-1-ium methylids are subjected to a comparative study between their spectral and quantum-mechanical parameters in order to obtain more information about their structural features in hydroxyl solvents as water and ethanol and also on the nature of electronic absorption transitions from the visible range. The quantum mechanical analysis, made by the Spartan’14 program, established a series of molecular parameters of the studied ylids important for their reactivity and for intermolecular interactions with hydroxyl liquids. An extensive solvatochromic study of 1,2,4-triazol-1-ium ylids is impossible due to their limited solubility in liquids. Binary solvent mixtures of water and ethanol with known solvent parameters from the literature were used for this study. The electronic absorption spectra in binary solvents water and ethanol were used to establish the influence of intermolecular interactions on the spectral characteristics of the studied methylids and also on the composition of their first solvation shell in ternary solutions. The difference between the interaction energies in molecular pairs ylid–water and ylid–ethanol was determined based on the statistical cell model applied to the ternary solutions of the type of ylid + water + ethanol. The obtained values are very small due to the hydroxylic nature of the two solvents.

Understanding solvation

2009 ◽  
Vol 81 (4) ◽  
pp. 697-707 ◽  
Author(s):  
Omar A. El Seoud
Keyword(s):  
Ionic Liquid ◽  
Hydrophobic Interactions ◽  
Preferential Solvation ◽  
Solvent Mixture ◽  
Medium Effect ◽  
Effect Of Temperature ◽  
Binary Solvent ◽  
Solvent Mixtures ◽  
Solvatochromic Probes ◽  
Hydrolysis Of Esters

The effects of solvents on different chemical phenomena, including reactivity, spectroscopic data, and swelling of biopolymers can be rationalized by use of solvatochromic probes, substances whose UV-vis spectra, absorption, or emission are sensitive to the properties of the medium. Thermo-solvatochromism refers to the effect of temperature on solvatochromism. The study of both phenomena sheds light on the relative importance of the factors that contribute to solvation, namely, properties of the probe, those of the solvent (acidity, basicity, dipolarity/polarizability, and lipophilicity), and the temperature. Solvation in binary solvent mixtures is complex because of "preferential solvation" of the probe by one component of the mixture. A recently introduced solvent exchange model is based on the presence in the binary solvent mixture of the organic component (molecular solvent or ionic liquid), S, water, W, and a 1:1 hydrogen-bonded species (S-W). Solvation by the latter is more efficient than by its precursor solvents, due to probe-solvent hydrogen-bonding and hydrophobic interactions; dimethyl sulfoxide (DMSO)-W is an exception. Solvatochromic data are employed in order to explain apparently disconnected phenomena, namely, medium effect on the pH-independent hydrolysis of esters, 1H NMR data of water-ionic liquid (IL) mixtures, and the swelling of cellulose.

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