Abstract: Densities and viscosities of ternary liquid mixtures of water, methanol, ethanol of volume by volume ratio of 1:1:1 have been measured at 308.15, 313.15., 318.15, 323.15, 328.15, K .From the density and viscosity data the values of various properties, Excess volume (VE) Excess viscosity (µE) and Excess Gibb’s free energy of activation of flow (ΔGE) have been determined. On the basis of the values of interaction parameters and various excess properties, the nature of molecular interactions between the components of mixtures has been explained.
Some Excess Properties of Ternary Liquid Mixture of Water, Methanol, Ethanol ...paperpublications3
Abstract: Densities and viscosities of ternary liquid mixtures of water, methanol, ethanol of volume by volume ratio of 1:1:1 have been measured at 308.15, 313.15., 318.15, 323.15, 328.15, K .From the density and viscosity data the values of various properties, Excess volume (VE) Excess viscosity (µE) and Excess Gibb’s free energy of activation of flow (ΔGE) have been determined. On the basis of the values of interaction parameters and various excess properties, the nature of molecular interactions between the components of mixtures has been explained.
Keywords: Viscosity, Liquids, Density, Ternary Mixture, Water, Methanol and Ethanol, Excess Volume, Excess Viscosity, Gibb’s Free Energy.
Kinetics and Solvent Effect on Hydrolysis of Ethyl Cinnamate in Water-Methano...IJEACS
The solvent effect of aquo-dipolar protic solvent
system was highlighted by studying the kinetics of base catalyzed
solvolysis of ethyl cinnanmate in water-methanol media of
various compositions having 20 to 70% (v/v)of ethanol at
different five temp ranging from 20 to 400C. Fast decrease of
specific rate constant with gradual addition of organic co solvent
in the reaction media and also with increasing temperature of the
reaction has been explained in light of solvation in initial and
transition state to different extent. The change in Iso-composition
Activation energy (EC) and Iso-dielectic Activation energy (ED)
also explained the solvation and desolvation of initial and
transition states to different extent The decrease in number of
water molecule (1.59 to 1.42) associated with the activated
complex is found to be decrease in water-MEOH system and this
tells about the fact that in presence of MEOH the mechanistic
path of reaction is change from bio-molecular to uni-molecular.
Increase in numerical value of free energy of activation (G*)
simultaneous decrease in entropy of activation (S*) and enthalpy
of activation (H*), of reaction media reveals that ethanol acts as entropy inhibitor and Enthalpy stimulator.
Accurate Solvent – Solvent Densities, Dielectric Constants and Volumes of ...Scientific Review SR
In this paper the densities and dielectric constants for mixed (DMF) – water solvents at 298.15K were
accurately measured using densimeter DMA-58 and decameter DK-300 respectively. Different volumes (molar
volume V
M, Van der Waals volume V
W, electrostriction volume V e and crystal volume VC) for mixed (DMF) –
H2O solvents were evaluated from density measurements
The effect of temperature onthe micellization of an anionic surfactant in mix...iosrjce
IOSR Journal of Applied Chemistry (IOSR-JAC) is a double blind peer reviewed International Journal that provides rapid publication (within a month) of articles in all areas of applied chemistry and its applications. The journal welcomes publications of high quality papers on theoretical developments and practical applications in Chemical Science. Original research papers, state-of-the-art reviews, and high quality technical notes are invited for publications.
Some Excess Properties of Ternary Liquid Mixture of Water, Methanol, Ethanol ...paperpublications3
Abstract: Densities and viscosities of ternary liquid mixtures of water, methanol, ethanol of volume by volume ratio of 1:1:1 have been measured at 308.15, 313.15., 318.15, 323.15, 328.15, K .From the density and viscosity data the values of various properties, Excess volume (VE) Excess viscosity (µE) and Excess Gibb’s free energy of activation of flow (ΔGE) have been determined. On the basis of the values of interaction parameters and various excess properties, the nature of molecular interactions between the components of mixtures has been explained.
Keywords: Viscosity, Liquids, Density, Ternary Mixture, Water, Methanol and Ethanol, Excess Volume, Excess Viscosity, Gibb’s Free Energy.
Kinetics and Solvent Effect on Hydrolysis of Ethyl Cinnamate in Water-Methano...IJEACS
The solvent effect of aquo-dipolar protic solvent
system was highlighted by studying the kinetics of base catalyzed
solvolysis of ethyl cinnanmate in water-methanol media of
various compositions having 20 to 70% (v/v)of ethanol at
different five temp ranging from 20 to 400C. Fast decrease of
specific rate constant with gradual addition of organic co solvent
in the reaction media and also with increasing temperature of the
reaction has been explained in light of solvation in initial and
transition state to different extent. The change in Iso-composition
Activation energy (EC) and Iso-dielectic Activation energy (ED)
also explained the solvation and desolvation of initial and
transition states to different extent The decrease in number of
water molecule (1.59 to 1.42) associated with the activated
complex is found to be decrease in water-MEOH system and this
tells about the fact that in presence of MEOH the mechanistic
path of reaction is change from bio-molecular to uni-molecular.
Increase in numerical value of free energy of activation (G*)
simultaneous decrease in entropy of activation (S*) and enthalpy
of activation (H*), of reaction media reveals that ethanol acts as entropy inhibitor and Enthalpy stimulator.
Accurate Solvent – Solvent Densities, Dielectric Constants and Volumes of ...Scientific Review SR
In this paper the densities and dielectric constants for mixed (DMF) – water solvents at 298.15K were
accurately measured using densimeter DMA-58 and decameter DK-300 respectively. Different volumes (molar
volume V
M, Van der Waals volume V
W, electrostriction volume V e and crystal volume VC) for mixed (DMF) –
H2O solvents were evaluated from density measurements
The effect of temperature onthe micellization of an anionic surfactant in mix...iosrjce
IOSR Journal of Applied Chemistry (IOSR-JAC) is a double blind peer reviewed International Journal that provides rapid publication (within a month) of articles in all areas of applied chemistry and its applications. The journal welcomes publications of high quality papers on theoretical developments and practical applications in Chemical Science. Original research papers, state-of-the-art reviews, and high quality technical notes are invited for publications.
Research Inventy : International Journal of Engineering and Science is published by the group of young academic and industrial researchers with 12 Issues per year. It is an online as well as print version open access journal that provides rapid publication (monthly) of articles in all areas of the subject such as: civil, mechanical, chemical, electronic and computer engineering as well as production and information technology. The Journal welcomes the submission of manuscripts that meet the general criteria of significance and scientific excellence. Papers will be published by rapid process within 20 days after acceptance and peer review process takes only 7 days. All articles published in Research Inventy will be peer-reviewed.
Computation of Dielectric Constant and Loss Factor of Water and Dimethylsulph...Scientific Review
This study examined the computation of the dielectric constant (ε′) and dielectric loss factor (ε′′) of water and dimethylsulphoxide (DMSO)at temperature 20oc, 30oc, 40oc and 500C within the frequency range of f GHz using Debye equations. The Debye equations were derived, and the experimental values of the static dielectric constant (εs), dielectric constant at high frequency (ε ) and the relaxation time (τ) of water and DMSO at those temperatures were substituted into the derived equations and the dielectric constant (ε′) and loss factor (ε′′) of water and DMSO were computed with aid of maple-13 and results were generated. These results revealed that the method is capable of reproducing good results forwork done using single Debye and that of the reflection cell ofdimethylsulphoxide.
Colligative properties of dilute solutions: lowering of vapour pressure, elevation of
boiling point, depression of freezing point and osmotic pressure including necessary
thermodynamic derivations.
Ultrasonic and Volumetric Investigations of -Butyrolactone with Aliphatic Al...IJERA Editor
Densities () and speeds of sound (u) have been determined for the binary liquid mixtures of -butyrolactone (GBL) with 1-propanol (1-Pro), 2-propanol (2-Pro), 1-butanol (1-But) and 2-butanol (2-But) at 303.15, 308.15, and 313.15 K and entire composition range. From the experimental results, the excess molar volume (VE), and deviation in isentropic compressibility (s) were calculated. The computed properties have been fitted to a Redlich-Kister type polynomial equation to derive binary coefficients and standard deviations.
Investigation of molecular interaction of amino acids in aqueous n propanol s...eSAT Journals
Abstract
The physical properties that has been investigated are, density (ρ),viscosity (η), and ultrasonic velocity (U) of L-valine, L- leucine and L-glutamine in aqueous n-propanol solution (0%-30%) in steps of 10% at 308.15K have been measured. The derived acoustical parameters namely adiabatic compressibility (β), apparent molal compressibility (ϕK), apparent molal volume (ϕV), limiting apparent molal compressibility(ϕ°K), limiting apparent molal volume(ϕ°V) and their constants (sk, sv), transfer adiabatic compressibility (Δϕ°K), transfer volume(Δϕ°V) , and viscosity B-coefficient are calculated using the experimental data. The change that has been observed in the parameter with respect to molality of the solute has been interpreted in terms of ion-ion and ion- solvent interactions.
Key words: Molecular interaction, solute-solvent interaction, ion-ion interaction, ion-solvent interaction.
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
Colligative properties of dilute solutions Manik Imran Nur Manik
lowering of vapour pressure, elevation of boiling point, depression of freezing point and osmotic pressure including necessary thermodynamic derivations.
Analysis of Transport Properties and Acoustical Parameters of Sulphanilamide ...IOSR Journals
Sulphanilamide is the parent compound of all the sulpha-durgs which is important in urinary tract infections and meningococcal meningitis profilaxes. Ultrasonic velocity measurements are highly sensitive to molecular interactions and used to provide qualitative informations about the physical nature and strength of the molecular ∕inter-ionic interactions. In the present work, non-aqueous solutions of Sulphanilamide have been prepared with different concentrations and the experiments were carried out from a low temperature of 50c to a high temperature of 550c. The ultrasonic velocity data combined with density and viscosity provides the standard means for determining the internal pressure, free volume and acoustical parameters. The various interactions occurring in the solutions are interpreted interms of ion-ion and ion-solvent interactions. An attempt is made to identify the entry of solvate into the samples and the entry of drug molecules into the solvate which supports to identify the molecular structure.
Viscosities and deviations in viscosity for binary mixtures of tetrahydrofura...eSAT Journals
Abstract
The viscosities, η of pure tetrahydrofuran, propanol-1 and butanol-1and some of their binary mixtures covering the whole
composition range have been measured at temperatures 303.15 K. From the experimental η, the deviations in viscosity (Δη) have
been calculated. Excess free energy for viscous flow, ΔG#E has also been evaluated. The concentration dependences of η were
correlated to polynomial expressions, whereas, Δη and ΔG#E were fitted to the Redlich–Kister equation. For all systems, Δη were
found to be negative in the whole range of composition with a single lobe.
Keywords: Viscosity, Tetrahydrofuran, Propanol-1, Butanol-1.
Influence of Tetra Alkyl Ammonium Cation and Temperature on Molecular Interac...IOSRJAC
Ultrasonic velocity (u), density (ρ), viscosity (η) and related acoustical parameters such as adiabatic compressibility (β), free energy (∆G), internal pressure (πi), relaxation time (τ) and acoustic impedance (z) have been computed using standard relation for tetra alkyl ammonium cation (Et4N + , Pr4N + , Bu4N + , and Pen4N + ) in binary liquid mixtures of 1, 4 - Dioxane and N, N – Dimethyl Formamide was prepared of 0.14M on different percentage compositions over the temperature range from 303.15K to 323.15K with the interval of 10K under room pressure to investigate inter - ionic interactions. The densities were measured by Magnetic Float Densitometer. Transport properties provide a deep and meaningful insight of various interactions taking place. It has been observed that the influence of small as well as large alkyl chain length of tetra alkyl ammonium cations (R4N + ), in terms of shape and ionic size with the DMF solvent in the presence of Dioxane, is helpful in investigating the molecular interactions, molecular rearrangement, molecular association etc
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
Some physicochemical properties such as density, refractive index, solubility, conductance, dissociation constant etc. have been studied for some newly synthesized chalcones in different solvents at 308.15 K.
Research Inventy : International Journal of Engineering and Science is published by the group of young academic and industrial researchers with 12 Issues per year. It is an online as well as print version open access journal that provides rapid publication (monthly) of articles in all areas of the subject such as: civil, mechanical, chemical, electronic and computer engineering as well as production and information technology. The Journal welcomes the submission of manuscripts that meet the general criteria of significance and scientific excellence. Papers will be published by rapid process within 20 days after acceptance and peer review process takes only 7 days. All articles published in Research Inventy will be peer-reviewed.
Computation of Dielectric Constant and Loss Factor of Water and Dimethylsulph...Scientific Review
This study examined the computation of the dielectric constant (ε′) and dielectric loss factor (ε′′) of water and dimethylsulphoxide (DMSO)at temperature 20oc, 30oc, 40oc and 500C within the frequency range of f GHz using Debye equations. The Debye equations were derived, and the experimental values of the static dielectric constant (εs), dielectric constant at high frequency (ε ) and the relaxation time (τ) of water and DMSO at those temperatures were substituted into the derived equations and the dielectric constant (ε′) and loss factor (ε′′) of water and DMSO were computed with aid of maple-13 and results were generated. These results revealed that the method is capable of reproducing good results forwork done using single Debye and that of the reflection cell ofdimethylsulphoxide.
Colligative properties of dilute solutions: lowering of vapour pressure, elevation of
boiling point, depression of freezing point and osmotic pressure including necessary
thermodynamic derivations.
Ultrasonic and Volumetric Investigations of -Butyrolactone with Aliphatic Al...IJERA Editor
Densities () and speeds of sound (u) have been determined for the binary liquid mixtures of -butyrolactone (GBL) with 1-propanol (1-Pro), 2-propanol (2-Pro), 1-butanol (1-But) and 2-butanol (2-But) at 303.15, 308.15, and 313.15 K and entire composition range. From the experimental results, the excess molar volume (VE), and deviation in isentropic compressibility (s) were calculated. The computed properties have been fitted to a Redlich-Kister type polynomial equation to derive binary coefficients and standard deviations.
Investigation of molecular interaction of amino acids in aqueous n propanol s...eSAT Journals
Abstract
The physical properties that has been investigated are, density (ρ),viscosity (η), and ultrasonic velocity (U) of L-valine, L- leucine and L-glutamine in aqueous n-propanol solution (0%-30%) in steps of 10% at 308.15K have been measured. The derived acoustical parameters namely adiabatic compressibility (β), apparent molal compressibility (ϕK), apparent molal volume (ϕV), limiting apparent molal compressibility(ϕ°K), limiting apparent molal volume(ϕ°V) and their constants (sk, sv), transfer adiabatic compressibility (Δϕ°K), transfer volume(Δϕ°V) , and viscosity B-coefficient are calculated using the experimental data. The change that has been observed in the parameter with respect to molality of the solute has been interpreted in terms of ion-ion and ion- solvent interactions.
Key words: Molecular interaction, solute-solvent interaction, ion-ion interaction, ion-solvent interaction.
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
Colligative properties of dilute solutions Manik Imran Nur Manik
lowering of vapour pressure, elevation of boiling point, depression of freezing point and osmotic pressure including necessary thermodynamic derivations.
Analysis of Transport Properties and Acoustical Parameters of Sulphanilamide ...IOSR Journals
Sulphanilamide is the parent compound of all the sulpha-durgs which is important in urinary tract infections and meningococcal meningitis profilaxes. Ultrasonic velocity measurements are highly sensitive to molecular interactions and used to provide qualitative informations about the physical nature and strength of the molecular ∕inter-ionic interactions. In the present work, non-aqueous solutions of Sulphanilamide have been prepared with different concentrations and the experiments were carried out from a low temperature of 50c to a high temperature of 550c. The ultrasonic velocity data combined with density and viscosity provides the standard means for determining the internal pressure, free volume and acoustical parameters. The various interactions occurring in the solutions are interpreted interms of ion-ion and ion-solvent interactions. An attempt is made to identify the entry of solvate into the samples and the entry of drug molecules into the solvate which supports to identify the molecular structure.
Viscosities and deviations in viscosity for binary mixtures of tetrahydrofura...eSAT Journals
Abstract
The viscosities, η of pure tetrahydrofuran, propanol-1 and butanol-1and some of their binary mixtures covering the whole
composition range have been measured at temperatures 303.15 K. From the experimental η, the deviations in viscosity (Δη) have
been calculated. Excess free energy for viscous flow, ΔG#E has also been evaluated. The concentration dependences of η were
correlated to polynomial expressions, whereas, Δη and ΔG#E were fitted to the Redlich–Kister equation. For all systems, Δη were
found to be negative in the whole range of composition with a single lobe.
Keywords: Viscosity, Tetrahydrofuran, Propanol-1, Butanol-1.
Influence of Tetra Alkyl Ammonium Cation and Temperature on Molecular Interac...IOSRJAC
Ultrasonic velocity (u), density (ρ), viscosity (η) and related acoustical parameters such as adiabatic compressibility (β), free energy (∆G), internal pressure (πi), relaxation time (τ) and acoustic impedance (z) have been computed using standard relation for tetra alkyl ammonium cation (Et4N + , Pr4N + , Bu4N + , and Pen4N + ) in binary liquid mixtures of 1, 4 - Dioxane and N, N – Dimethyl Formamide was prepared of 0.14M on different percentage compositions over the temperature range from 303.15K to 323.15K with the interval of 10K under room pressure to investigate inter - ionic interactions. The densities were measured by Magnetic Float Densitometer. Transport properties provide a deep and meaningful insight of various interactions taking place. It has been observed that the influence of small as well as large alkyl chain length of tetra alkyl ammonium cations (R4N + ), in terms of shape and ionic size with the DMF solvent in the presence of Dioxane, is helpful in investigating the molecular interactions, molecular rearrangement, molecular association etc
The International Journal of Engineering & Science is aimed at providing a platform for researchers, engineers, scientists, or educators to publish their original research results, to exchange new ideas, to disseminate information in innovative designs, engineering experiences and technological skills. It is also the Journal's objective to promote engineering and technology education. All papers submitted to the Journal will be blind peer-reviewed. Only original articles will be published.
Some physicochemical properties such as density, refractive index, solubility, conductance, dissociation constant etc. have been studied for some newly synthesized chalcones in different solvents at 308.15 K.
Solvent Effect on the Enthalpy and Entropy of Activation for the Hydrolysis o...IJEACS
The rate of alkaline hydrolysis of ethyl cinnamate was measured over the temperature range of 20o C to 40 o C in water-acetone mixture at different composition 30 to 70% (v/v). The influence of solvent variation on reaction rate was examined in term of changes in the activation parameter. Depletion of H* and S* value with simultaneous increase in G* of the reaction in reaction media, reveals that the reaction is Enthalpy domination and Entropy controlled. The Iso- dielectric activation energy(ED) of reaction was found to decrease from 52.43 to 47.28 which is calculated by plotting log k values against different D. The Values of Iso-kinetic Temperature which is less than 300, clearly indicates that there is no appreciable interaction between solvent and solute present in the reaction media, i.e. reaction is not ion-dipole but ion-molecule type.
The Influence of Solvent on the Solvolysis of Ethyl Cinnamate in Water Aceton...IJEACS
The kinetic of alkaline hydrolysis of Ethyl Cinnamate was investigated at different percentage of aqua-organic solvent mixture with Acetone (30 to 70% v/v) over the temperature range of 20o C to 40 o C. The specific rate constant was found to be decreased with increasing proportion of solvent (Acetone) at all the temperature range. The Iso-composition Activation energy (EC) was also evaluated which decreases with solvent composition in (water-Acetone) system. The number of water molecule associated with the activated complex is found to be increase (0.7003to 0.786) in water-Acetone system. The Thermodynamic Activation Parameter such as Enthalpy of Activation (H*), Entropy of Activation (S*) and Gibb's free energy of activation (G*) were also calculated
CYCLOHEXANE – PHENOL BINARY LIQUID MIXTURE: BEHAVIOR AND PARAMETERS AT CRITIC...ijrap
A new liquid binary cyclohexane - phenol mixture was prepared. The dynamic shear viscosity coefficients of this liquid mixture, for different phenol concentrations and temperatures, were investigated by capillary viscometer made from glass. The dynamic shear viscosity showed an anomaly close to the critical temperature 푇푐 = 17.0 ℃. The anomaly behavior was observed at critical weight concentration of phenol, 푥푐 = 2.70 %. At temperatures above critical one, the experimental data were fitted using mode Coupling Theory. It was found that the dynamic shear viscosity non-critical background had a value of 휂0 = 0.8174 cP. Also, using a pycnometer of 10 ml, density measurements were performed. The expected law for mass density above critical temperature was the power law. The noncritical mass density part was found to have a value of 휌0 = 0.7357 푔푚 푐푚3 . In addition, The isobaric thermal expansion coefficient at critical temperature (훼푝푐) was also deduced and found to have a value of 2.07 × 10−6 ℃−1 . Finally, the derivative of critical temperature with respect to pressure (푇푐 ′ ) was found to have a value 1.22 × 10−4 퐾 푃푎 .
CYCLOHEXANE – PHENOL BINARY LIQUID MIXTURE: BEHAVIOR AND PARAMETERS AT CRITIC...ijrap
A new liquid binary cyclohexane - phenol mixture was prepared. The dynamic shear viscosity coefficients
of this liquid mixture, for different phenol concentrations and temperatures, were investigated by capillary
viscometer made from glass. The dynamic shear viscosity showed an anomaly close to the critical
temperature 푇푐 = 17.0 ℃. The anomaly behavior was observed at critical weight concentration of phenol,
푥푐 = 2.70 %. At temperatures above critical one, the experimental data were fitted using mode Coupling
Theory. It was found that the dynamic shear viscosity non-critical background had a value of 휂0 = 0.8174
cP. Also, using a pycnometer of 10 ml, density measurements were performed. The expected law for mass
density above critical temperature was the power law. The noncritical mass density part was found to have
a value of 휌0 = 0.7357 푔푚
푐푚3
. In addition, The isobaric thermal expansion coefficient at critical temperature
(훼푝푐) was also deduced and found to have a value of 2.07 × 10−6 ℃−1
. Finally, the derivative of critical
temperature with respect to pressure (푇푐
′
) was found to have a value 1.22 × 10−4 퐾
푃푎
.
Ultrasonic velocity and allied parameters of tetrahexylammonium iodidein bina...ijceronline
International Journal of Computational Engineering Research (IJCER) is dedicated to protecting personal information and will make every reasonable effort to handle collected information appropriately. All information collected, as well as related requests, will be handled as carefully and efficiently as possible in accordance with IJCER standards for integrity and objectivity.
Abstract The study of dielectric liquid behaviour under different exposure is one of the most fascinating frontiers in solid state physics. It has undoubtedly render considerable service to every physicist doing research in this field. The increasing desire to understand the molecular interactions have led to conduct the present study, which deals with a certain group of polar compounds such as (i) Acetonitrile (AN), (ii) Acetophenone (AP) and (iii) 2-Propanol (2-P) with a non-polar compound benzene. The dielectric behaviour of individual compound, binary mixtures and their ratios have been studied at microwave frequency of 21.68GHz in non-polar solvent (benzene) at constant temperature 300K. Different dielectric parameters like dielectric constant ε’ and dielectric loss ε” at microwave frequency, static dielectric constant εs at 1 KHz frequency, dielectric constant ε∞ at optical frequency have been determined. Using these dielectric data, dipole moment μ, various relaxation time viz (i) molecular relaxation time τ(1) (ii) overall relaxation time of a molecule τ(2) and (iii) average relaxation time τ(υ), distribution parameter (α) of individual compound, binary mixtures and their ratios in dilute solutions of benzene also have been determined experimentally. Weight fraction method is used for changing the concentration of solute in solvent. The observed results are discussed on the basis of various types if relaxation processes, which change with the size, shape and type of interaction. Key Words: Molecular Iteraction, Relaxation Time and Dielectric Constant
IJRET : International Journal of Research in Engineering and Technology is an international peer reviewed, online journal published by eSAT Publishing House for the enhancement of research in various disciplines of Engineering and Technology. The aim and scope of the journal is to provide an academic medium and an important reference for the advancement and dissemination of research results that support high-level learning, teaching and research in the fields of Engineering and Technology. We bring together Scientists, Academician, Field Engineers, Scholars and Students of related fields of Engineering and Technology
Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and...Maciej Przybyłek
Edaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures between 298.15 K and 313.15 K. Measurements confirmed that ethaline (ETA = ChCl:EG = 1:2) and glyceline (GLE = ChCl:GL = 1:2) are very effective solvents for edaravone. The solubility at 298.15 K in the optimal compositions was found to be equal xE = 0.158 (cE = 302.96 mg/mL) and xE = 0.105 (cE = 191.06 mg/mL) for glyceline and ethaline, respectively. In addition, it was documented that wetting of neat eutectic mixtures increases edaravone solubility which is a fortunate circumstance not only from the perspective of a solubility advantage but also addresses high hygroscopicity of eutectic mixtures. The aqueous mixture with 0.6 mole fraction of the optimal composition yielded solubility values at 298.15 K equal to xE = 0.193 (cE = 459.69 mg/mL) and xE = 0.145 (cE = 344.22 mg/mL) for glyceline and ethaline, respectively. Since GLE is a pharmaceutically acceptable solvent, it is possible to consider this as a potential new liquid form of this drug with a tunable dosage. In fact, the recommended amount of edaravone administered to patients can be easily achieved using the studied systems. The observed high solubility is interpreted in terms of intermolecular interactions computed using the Conductor-like Screening Model for Real Solvents (COSMO-RS) approach and corrected for accounting of electron correlation, zero-point vibrational energy and basis set superposition errors. Extensive conformational search allowed for identifying the most probable contacts, the thermodynamic and geometric features of which were collected and discussed. It was documented that edaravone can form stable dimers stabilized via stacking interactions between five-membered heterocyclic rings. In addition, edaravone can act as a hydrogen bond acceptor with all components of the studied systems with the highest affinities to ion pairs of ETA and GLE. Finally, the linear regression model was formulated, which can accurately estimate edaravone solubility utilizing molecular descriptors obtained from COSMO-RS computations. This enables the screening of new eutectic solvents for finding greener replacers of designed solvents. The theoretical analysis of tautomeric equilibria confirmed that keto-isomer edaravone is predominant in the bulk liquid phase of all considered deep eutectic solvents (DES).
Partial Molar Volumes of Tetra alkyl ammonium salts in 10%(W/W) 2-(Ethoxy) et...Premier Publishers
In this article densities and apparent molar volumes of Tetra alkyl ammonium bromide salts ( ) in 10% (W/W) 2-(Ethoxy) ethanol-water mixture is studied at 30o, 35o and 40oC. Partial molar volumes are divided into ionic components using different methods such as Conway et al. and Jolicoeur et al. The results are compared with the values of partial molar volumes of ions reported in literature for pure water. Decrease in hydrophobic hydration is noticed. This may be due to the addition of co-solvent 2-(Ethoxy) ethanol (confirming the conclusions drawn from our viscosity studies that in 2-(Ethoxy) ethanol-water mixture, the structuredness of water is reduced by the breaking of hydrogen bonds). The values are divided into and . Making use of the Padova’s equation values of salts are calculated. These are also divided into ionic contributions. Dimensions of ions have been calculated to understand solvation behavior. It is shown that the classification of salts into structure makers and structure breakers on the basis of the sign of is not valid for the present water rich mixed solvent system.
Values of dielectric constant (ɛ') and dielectric loss (ɛ") have been experimentally determined for binary liquid mixtures of acetonitrile + n-butyl alcohol at 10.75 GHz microwave frequencies at 300C and over the complete mole fraction range. The values of ɛ' and ɛ" have been used to evaluate the loss tangent ( tan ),
molar polarization (P12), apparent polarization (P2) and a.c. conductivity ( p ).The results are discussed in
terms of intermolecular interactions. The results are positive over the entire range of composition.
Viscosity, density and refractive index measurement of pure liquid and binary liquid mixtures were carried out at 300C. The values of viscosity have been used to evaluate the activation energy (Ea). The surface tension has been experimentally determined for pure liquid and binary liquid mixtures at 300C. These parameters have been used to explain the formation of hydrogen bonding and formation of complex in the binary liquid mixtures.
Computation of Dielectric Constant and Loss Factor of Water and Dimethylsulp...Scientific Review SR
This study examined the computation of the dielectric constant (ε′) and dielectric loss factor (ε′′) of
water and dimethylsulphoxide (DMSO)at temperature 20
o
c, 30
o
c, 40
o
c and 50
0
C within the frequency range of
f GHz using Debye equations. The Debye equations were derived, and the experimental values of the
static dielectric constant (ε
s
), dielectric constant at high frequency (ε ) and the relaxation time (τ) of water and
DMSO at those temperatures were substituted into the derived equations and the dielectric constant ( ε′) and loss
factor (ε′′) of water and DMSO were computed with aid of maple-13 and results were generated. These results
revealed that the method is capable of reproducing good results forwork done usin g single Debye and that of the
reflection cell ofdimethylsulphoxide.
Thermodynamic behavior of tetrahydrofuron in p dioxane, methylcyclohexane and...eSAT Journals
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Some Excess Properties of Ternary Liquid Mixture of Water, Methanol, Ethanol at Several Temperatures
1. ISSN 2350-1030
International Journal of Recent Research in Physics and Chemical Sciences (IJRRPCS)
Vol. 1, Issue 2, pp: (8-12), Month: October 2014 - March 2015, Available at: www.paperpublications.org
Page | 8
Paper Publications
Some Excess Properties of Ternary Liquid
Mixture of Water, Methanol, Ethanol at
Several Temperatures
1
Dikko A.B., 2
Alkasim A.
1,2
Department of Physics, School of Pure and Applied Sciences, Modibbo Adama University of Technology, Yola,
Nigeria
Abstract: Densities and viscosities of ternary liquid mixtures of water, methanol, ethanol of volume by volume ratio
of 1:1:1 have been measured at 308.15, 313.15., 318.15, 323.15, 328.15, K .From the density and viscosity data the
values of various properties, Excess volume (VE
) Excess viscosity (µE
) and Excess Gibb’s free energy of activation
of flow (ΔGE
) have been determined. On the basis of the values of interaction parameters and various excess
properties, the nature of molecular interactions between the components of mixtures has been explained.
Keywords: Viscosity, Liquids, Density, Ternary Mixture, Water, Methanol and Ethanol, Excess Volume, Excess
Viscosity, Gibb’s Free Energy.
I. INTRODUCTION
Mixtures of water with aliphatic alcohols are of considerable interest from the viewpoint of the existence of
some interaction, such as hydrogen bonding between water-which contains an -OH group and can act as a
π-type donor- and alcohol molecules, which have one acidic H atom on the -OH group and can act as
σ-acceptors,[11]
.Thermodynamic and transport properties of ternary mixtures of liquids have been studied employing the
molar volume ratios of mixing, over entire composition range, at different temperatures, by various researchers.[3], [5], [7], [8]
.
In this paper densities (ρ) and viscosities (µ) of ternary mixtures of water, methanol and ethanol covering an entire
composition (expressed by volume fraction) at 308.15, 313.15, 318.15, 323.15, 328.15, K are reported. Excess volume
(VE
), excess viscosity (µ E
), and excess free energy of activation of viscous flow (ΔGE
) have been calculated from
experimental values of densities and viscosities
II. MATERIALS AND METHOD
An ethanol, and methanol (BDH grades, 99.4% v/v) and distilled water were used in the experiment. The viscometer was
kept for 10 -15 minutes in the thermostatically controlled water-bath [6]
, to achieve constant temperature. The
measurements of flow time of the solution between the two points on the viscometer were performed at least three times
for each liquid and the average results were noted. All liquids making up a mixture were of equal proportion by volume.
The volumes of the particular mass of the liquid at different temperatures studied were noted. Then the densities of the
liquids and liquid mixtures at different temperatures were calculated using the relation, density = mass/volume. The
average of three readings of time of flow of each liquid or mixture at different temperatures was used in determining the
corresponding viscosity.
The excess function is a measure of deviation from the ideal behaviour of the mixture, and found to be highly sensitive
towards molecular interactions between the component
molecules of liquid mixtures. The sign and magnitude of these excess
functions from ideal depends on the strength of interaction between unlike molecule [7]
,.
2. ISSN 2350-1030
International Journal of Recent Research in Physics and Chemical Sciences (IJRRPCS)
Vol. 1, Issue 2, pp: (8-12), Month: October 2014 - March 2015, Available at: www.paperpublications.org
Page | 9
Paper Publications
The excess viscosity (µE
) of the given binary liquid mixture was calculated from the observed viscosity of mixture and
that of its pure components using following equation[1], [2]
µE
= µ – (x1µ1 + x2 µ2 + x3 µ3 + --------- xnµn (1)
Where µ is viscosity of ternary mixture, µ1, µ2, µ3 ------- µn are the viscosities of pure components respectively and x1, x2,
x3, ------- xn are the mole fractions of components of ternary liquid mixtures respectively.
The excess volume (VE
) of ternary mixture can be evaluated from the volume of mixture (V) and that of pure components
(V1, V2, V3------Vn )
VE
can be determined using the following equation[12]
..
VE
= V – (x1V1 + x2V2 + x3V3 + ------------- XnVn) (2)
The volume V of the ternary liquid mixture can be calculated from the measured density (ρ) of the mixture using
following equation, (Glassstone, 1941).
V=(x1V1 +x2V2 + x2V3 +---- +xnVn) / ρ (3)
The excess Gibb’s free energy of flow (ΔGE
) for the ternary liquid mixture was computed from the Eyring equation,
ΔGE
= RT ( lnµV – x1 ln µ1V1 – x2 ln µ 2V2 – x3 ln µ 3V3 -------- – xn ln µnVn) (4)
III. RESULTS AND DISCUSSION
Densities and viscosities of pure components from experimental values presented in Tables 1 and 2 respectively have
been compared with the literature values and found that the experimental values are fairly comparable with values from
literature.
Table 1 Variation of densities, with temperatures for mixture, distilled water, methanol and water
Temperature
(K) ±0.01
Density (water)
(g/cm3
)
± 0.005
Density (methanol)
(g/cm3
)
± 0.005
Density (ethanol)
(g/cm3
)
±0.005
308.15 0.994 0.726 0.777
313.15 0.992 0.719 0.773
318.15 0.990 0.711 0.769
323.15 0.988 0.704 0.765
328.15 0.985 0.696 0.762
Table 2 Variation of viscosity coefficients with temperature for distilled water, methanol and water
Temperaure
(K)
±0.01
Viscosity (µ) of water
(10-4
Pa.sec)
±0.001
Viscosity (µ) methanol
(10-4
Pa.sec)
± 0.001
Viscosity( )µ of ethanol
(10-4
Pa.sec)
±0.001
308.15 7.220 4.831 9.083
313.15 6.526 4.556 8.324
318.15 5.959 4.292 7.632
323.15 5.564 4.031 7.005
328.15 5.038 3.848 6.421
3. ISSN 2350-1030
International Journal of Recent Research in Physics and Chemical Sciences (IJRRPCS)
Vol. 1, Issue 2, pp: (8-12), Month: October 2014 - March 2015, Available at: www.paperpublications.org
Page | 10
Paper Publications
The values of excess volume (VE
), excess viscosity (µE
), and excess Gibb’s free energy of activation of low (ΔGE
), as a
function of temperature of water-methanol- ethanol mixtures are presented in Table 3
Table 3 Variation of µE
, VE
and ΔGE
with temperature
Temperature
(K) 0.01
Excess viscosity (µE
)
(10-4
Pa.sec)
Excess volume (VE
)
± 0.005
Excess Gibb’s free energy
of activation (ΔGE
)
308.13 0.046 -0.646 114.76
313.15 0.042 -0.603 121.28
318.15 0.038 -0.575 126.22
323.15 0.035 -0.555 130.01
328.15 0.033 -0.550 133.14
From the plot of µE
verses T for mixture presented in the Fig 1 shows that the values of µE
are positive over entire
experimental temperatures. The positive of µE
suggest that dispersion types of forces are predominant in these mixtures.
Alcohols are associate liquids; they can interact with each other and with water molecules. For water-alcohol mixtures,
the hydrogen bonding between water and alcohol molecules is much more predominant than for water-water, and alcohol-
alcohol molecule pairs[1], [13]
.
Fig. 1 Variation of excess viscosity (µE
) of water-methanol- ethanol mixture with temperature
Fig 2 shows the plot of VE
of the mixture versus temperature T. The increase in temperature results in decrease in VE
of
the mixture. The excess volumes are negative over entire experimental temperatures, indicating chemical or specific
interactions which can result in decrease in volume due some molecular interactions. The hydrogen of the -OH group on
alcohol is polar as it is in the water molecule. Also, in solvents such as alcohol, which can take part in hydrogen bond
formation, the self-association of alcohols may be increased in favour of hydrogen - bonded forms between solute a nd
solvent[11], [9]
..
0
0.005
0.01
0.015
0.02
0.025
0.03
0.035
0.04
0.045
0.05
305 310 315 320 325 330 335 340 345
Excessviscosity(µE)
Temperature (K)
4. ISSN 2350-1030
International Journal of Recent Research in Physics and Chemical Sciences (IJRRPCS)
Vol. 1, Issue 2, pp: (8-12), Month: October 2014 - March 2015, Available at: www.paperpublications.org
Page | 11
Paper Publications
Fig. 2 Variation of excess volume (VE
) of water-methanol- ethanol mixture with temperature
The values of ΔGE
for the above mixture have been plotted against T represented in Fig 3. The positive values of Δ GE
may be due to the size effect of the mixing components [9], [10]
. Δ GE
may be considered. a reliable measure to detect the
presence of interaction between the molecule, positive values of Δ GE
can be seen in ternary mixture where specific
interactions (hydrogen bonding) between the molecules are dominant.
Fig. 3 Variation of Excess Gibb’s free energy of activation (ΔGE
) of water-methanol- ethanol mixture with temperature
For a strong hydrogen bond donor mixing cosolvents-specific donor-acceptor interactions may probably produce stable
stoichiometric complexes which are formed in competition with the simultaneous disruption of the structures of both the
pure solvents [2], [11], [13]. This behavior has been attributed to the fact that the O-H bond moment of these aggregates is
increased through mutual induction. On the other hand, the H-bonded complexes of water present a dipole moment.
Consequently, taking into account all these assumptions, we could attribute the observed deviations from ideality to all
these effects.
-0.66
-0.64
-0.62
-0.6
-0.58
-0.56
-0.54
305 310 315 320 325 330
Excessvolume(VE)
Temperature (K)
110
115
120
125
130
135
305 310 315 320 325 330
ExcessGibb’sfreeenergyofactivation
(ΔGE)
Temperature (K)
5. ISSN 2350-1030
International Journal of Recent Research in Physics and Chemical Sciences (IJRRPCS)
Vol. 1, Issue 2, pp: (8-12), Month: October 2014 - March 2015, Available at: www.paperpublications.org
Page | 12
Paper Publications
IV. CONCLUSION
From the above results, the excess properties of the studied mixture indicate some molecular interactions. Because of
alcohols are associate liquids, they can interact with each other and with water molecules. Viscosity, volume, Gibb’s free
energy of activation of flow parameters were affected from these interactions. The excess values of these components
exhibited parabolic nature which means a deviation from ideal.
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[2] Atamas N. A., and Atamas A. A. (2009), The Investigations of Water-ethanol Mixture by Monte Carlo Method.
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