Computational Approach of Molar Refraction, Molecular Radius and Internal Pressure of a Binary Mixture - Molecular Interaction Studies

2015 ◽  
Vol 3 (2) ◽  
Author(s):  
Anil Kumar K. ◽  
Srinivasu Ch. ◽  
Siva Rama Krishna J. ◽  
Jitendra M.S.N.V.
Keyword(s):  
Internal Pressure ◽  
Composition Range ◽  
Liquid Mixture ◽  
Polynomial Equation ◽  
Molar Refraction ◽  
Measured Data ◽  
Computational Approach ◽  
Refractive Indices ◽  
Excess Parameters ◽  
Molecular Radius

Refractive indices and molar volume of binary liquid mixture of 1, 4-dioxane with 1-butanol were measured over the entire composition range at T= (298.15, 303.15, 308.15, 313.15 & 318) K using Anton Paar and Abbemat Refractometer. Basing empirical formulae and the measured data were utilized to evaluate the molar refraction (Rm), molecular radii (r), internal pressure (pi) along with their excess parameters. The computed results of RmE, rE and piE were fitted to the Redlich–Kister polynomial equation and focused on the molecular interactions present in the mixture.

scholarly journals Volumetric, viscometric and optical study of molecular interactions in binary mixtures of diethyl malonate with ketones at 303.15, 308.15 and 313.15K

2012 ◽  
Vol 77 (4) ◽  
pp. 507-521 ◽  
Author(s):  
Manapragada Rathnam ◽  
Sudhir Mohite ◽  
Manapragada Kumar
Keyword(s):  
Binary Mixtures ◽  
Composition Range ◽  
Diethyl Malonate ◽  
Polynomial Equation ◽  
Molar Refraction ◽  
Optical Study ◽  
Free Energy Of Activation ◽  
Excess Parameters ◽  
Empirical Relations ◽  
Deviation In Viscosity

Density ?, viscosity ?, and refractive index nD were measured for the binary mixtures of diethyl malonate with ketones (acetophenone, cyclopentanone, cyclohexanone and 3-pentanone) at temperatures (303.15, 308.15 and 313.15) K over the entire composition range. Excess volume VE, deviation in viscosity ??, excess Gibb?s free energy of activation for viscous flow ?GE and deviation in molar refraction ?R were determined from the experimental data and computed results were fitted to the Redlich-Kister polynomial equation. The values of VE, ??, ?GE, and ?R were plotted against the mole fraction of diethyl malonate. The observed positive and negative values of excess parameters for all the studied binary mixtures were explained on the basis of intermolecular interactions present in these mixtures. Further different empirical relations were used to correlate the binary mixture viscosities and refractive indices.

scholarly journals Study of Refractive Indices and Its Theories for Mixtures of N, N-Diethylethanamine and Acetates

2020 ◽  
Vol 12 (3) ◽  
pp. 363-370
Author(s):  
P. Tyagi ◽  
K. Kumar ◽  
M. Rani ◽  
N. Sabharwal
Keyword(s):  
Experimental Data ◽  
Methyl Acetate ◽  
Butyl Acetate ◽  
Composition Range ◽  
Polynomial Equation ◽  
Carbon Chain ◽  
Refractive Indices ◽  
Carbon Chain Length ◽  
Propyl Acetate ◽  
Empirical Correlations

This paper reports the refractive indices ( ) of N,N-diethylethanamine + methyl acetate, ethyl acetate, propyl acetate, butyl acetate and pentyl acetate at 298.15 K and at different composition range. The various empirical correlations like Arago-Biot (AB), Gladstone-Dale (GD), Lorentz-Lorenz (L-L) Heller (H), Weiner (W), Newton (Nw) and Erying-John (E-J) were applied to experimental data for estimating theoretical value of refractive indices. For an equimolar mixture, the predicted deviation in refractive index values is consistent well with the experimental data. It has been found that the interactions between amine and different esters decrease when carbon chain length in ester increases. Also refractive indices are affected with change in temperature. To evaluate the standard deviation, RK polynomial equation was fitted to the measured refractive indices data.

scholarly journals Refractive Indices of Aqueous Solutions of Isomeric Butylamines at 303.15 K: Experimental and Correlative Approach

2021 ◽  
Vol 8 (2) ◽  
pp. 1020-1030
Author(s):  
Muhammad A. R. Khan ◽  
Mohammed Sohel ◽  
Md. Ariful Islam ◽  
Faisal I Chowdhury ◽  
Shamim Akhtar
Keyword(s):  
Refractive Index ◽  
Hydrogen Bonding ◽  
Comparative Study ◽  
Polynomial Equation ◽  
Molar Refraction ◽  
Refractive Indices ◽  
Specific Interactions ◽  
Tert Butylamine ◽  
Derived Properties ◽  
Mole Fraction Range

Refractive indices () and densities (r) of water (W) + n-butylamine (NBA), + sec-butylamine (SBA) and + tert-butylamine (TBA) systems had been measured in the whole range of composition at 303.15 K, from which deviation in refractive index (DnD ) molar refraction (Rm) and excess molar refraction () had been evaluated. All of the derived properties were fitted to appropriate polynomials. DnD were fitted to the Redlich-Kister polynomial equation. Values of DnD were all positive and were all negative which were attributed to cross hydrogen bonding, specific interactions as well as interstitial accommodation effect. A comparative study of Lorentz-Lorenz (L-L), Weiner (W), Heller (H), Gladstone-Dale (G-D), Arago-Biot (A-B), Eykman (Eyk), Newton (Nw), Eyring-John (E-J) and Oster (Os) relations for determining the refractive index of a liquid had been carried out to test their validity for the three binaries over the entire mole fraction range of butylamines at 303.15 K.

scholarly journals Theoretical Evaluation of Internal Pressure in Ternary and Sub-Binary Liquid Mixtures at Various Temperatures

2013 ◽  
Vol 4 ◽  
pp. 82-95
Author(s):  
J. Madhumitha ◽  
N. Santhi ◽  
G. Alamelumangai ◽  
M. Emayavaramban
Keyword(s):  
Internal Pressure ◽  
Liquid Mixture ◽  
Liquid Mixtures ◽  
Butyl Alcohol ◽  
Molar Refraction ◽  
Binary Liquid Mixtures ◽  
Theoretical Evaluation ◽  
Binary Liquid ◽  
Experimental Values ◽  
Internal Pressures

The Internal pressures of Ternary and their Sub-Binary liquid mixtures of benzene(1) + hexane(2) + sec-butyl alcohol(3) were calculated using density, velocity and molar refraction from the temperature range of 303.15K-318.15K. For the Binary liquid mixtures, the Experimental Internal pressure values were correlated through an equation proposed by Andiappan et.al. For the Ternary liquid mixture, the Experimental Internal pressure values were correlated through an equation proposed by us. The Experimental values and the Theoretical values are in close agreement with each other

scholarly journals Excess Thermodynamic Properties and Molecular Interactions in Binary Liquid Mixture of o-xylene and N-nonane

2020 ◽  
Vol 9 (6) ◽  
pp. 694-698
Keyword(s):  
Thermodynamic Properties ◽  
Atmospheric Pressure ◽  
Liquid Mixture ◽  
Molar Refraction ◽  
Measured Data ◽  
Viscosity Data ◽  
Excess Thermodynamic Properties ◽  
Different Temperatures ◽  
Kister Equation ◽  
Deviation In Viscosity

Experimentally measured data for viscosity and refractive index of (o-Xylene + n-Nonane) binary mixture are reported in this research paper for various compositions for three different temperatures at atmospheric pressure. Modified Ubbelholde viscometer and Abbe-3L Refractometer were used for experimental measurements. Deviation in molar refraction (ΔR) and deviation in viscosity (Δη) w.r.t composition have been calculated from the experimental data. ‘Grunberg and Nissan’ equation and Herric’s Correlation were used to correlate the viscosity data. Excess thermodynamic properties were fitted to Redlich-Kister equation. Coefficients and standard deviations, hence obtained are reported. Variation in Excess Thermodynamic properties for the mixture have been discussed in terms of intermolecular interactions

Molar volumes and refractivities of highly concentrated solutions of ammonium and potassium thiocyanates in water and dimethylsulphoxide

1988 ◽  
Vol 66 (9) ◽  
pp. 2244-2249 ◽  
Author(s):  
Petr Pacák ◽  
Zdenĕk Kodejš
Keyword(s):  
Composition Range ◽  
Apparent Molar Volumes ◽  
Refractive Indices ◽  
Dilute Solutions ◽  
Concentrated Solutions ◽  
Lorenz Equation ◽  
Molar Volumes ◽  
Solvent Interactions ◽  
Density Measurements ◽  
Concentration Dependences

Densities and refractive indices of highly concentrated solutions of ammonium and potassium thiocyanates in water and dimethylsulphoxide have been measured at 333.2 K in the composition range from xs = 0.01 up to saturated solutions. Molar volumes and apparent molar volumes have been calculated from density measurements and their concentration dependences are discussed. All the systems are volumetrically non-ideal and exhibit negative deviations from additivity. The molar refractivities were calculated from the refractive indices using the Lorentz–Lorenz equation. The refractivity values of individual ions were estimated in infinitely dilute solutions and were used for discussion of ion–solvent interactions.

Manganese-bearing silicate minerals from metamorphosed manganese formations of India. I. Juddite

1970 ◽  
Vol 37 (290) ◽  
pp. 708-716 ◽  
Author(s):  
Supriya Roy
Keyword(s):  
Composition Range ◽  
Axial Plane ◽  
Refractive Indices ◽  
Manganese Ore ◽  
Silicate Minerals ◽  
Partial Miscibility ◽  
Plane Normal

SummaryThe manganiferous amphibole juddite has been reported by a number of workers from metamorphosed manganese formations of India. The mineral is developed at the contact of pegmatite and gondite, and associated characteristically with blanfordite (manganoan aegirine-augite) and winchite (manganoan richterite-tremolite). The range of the refractive indices of the mineral and the orientation of the optic axial plane normal to (010) suggest the mineral to be of magnesioriebeckite composition. The 100 Mn2+:(Mn2++Mg+Fe2+) and 100 Fe3+:(Fe3++Alvi+Ti) ratios plotted in the glaucophane-magnesioriebeckite diagram show that eight out of nine analyses (eight new) are grouped under magnesioriebeckite composition range. It may thus be concluded that the juddites generally refer to (manganoan) magnesioriebeckite compositions. In some cases, however, the composition of juddite shows considerable departure from ideal magnesioriebeckite composition and the juddite and winchite (manganoan tremolite-richterite) show evidences of compositional transition, indicating partial miscibility. The juddites have been formed by the interaction of pegmatitic fluid on manganese ore, gondite, and other country rocks such as mica schists and diopside-forsterite marble.

Polymer Blends made from Ionomer and Ionomer Precursor Polymer

1996 ◽  
Vol 461 ◽  
Author(s):  
M. A. Bellinger ◽  
X. Ma ◽  
L. Tsou ◽  
J. A. Sauer ◽  
M. Hara
Keyword(s):  
Methyl Methacrylate ◽  
Polymer Blends ◽  
Interfacial Adhesion ◽  
Composition Range ◽  
Refractive Indices ◽  
Positive Deviation ◽  
Fine Dispersion ◽  
Matrix Polymer ◽  
Precursor Polymer ◽  
The Matrix

ABSTRACTRigid-rigid blends made of an ionomer and an ionomer precursor polymer, based on either polystyrene (PS) or poly(methyl methacrylate)(PMMA), were studied. A positive deviation from the rule of mixtures in both strength and toughness was observed over the entire composition range; and an especially significant enhancement was observed at low ionomer composition (e.g., 10 wt.%). This is attributed to a fine dispersion of the rigid ionomer phase in the matrix polymer together with good interfacial adhesion between the phases. The adhesion arises from entanglements due to athermal interactions between the same monomeric units of both the ionomer and the ionomer precursor. In addition, all the blend samples are found to be transparent due to similar refractive indices of the two components.

Soil-line vegetation indices for corn nitrogen content prediction

2012 ◽  
Vol 26 (2) ◽  
pp. 103-108 ◽  
Author(s):  
N. Bagheri ◽  
H. Ahmadi ◽  
S. Alavipanah ◽  
M. Omid
Keyword(s):  
Nitrogen Content ◽  
Vegetation Indices ◽  
Polynomial Equation ◽  
Measured Data ◽  
Second Order ◽  
Soil Line ◽  
Order Polynomial ◽  
Canopy Nitrogen ◽  
Order Polynomial Equation ◽  
Corn Canopy

Soil-line vegetation indices for corn nitrogen content prediction The soil-line vegetation indices for prediction of corn canopy nitrogen content were investigated. Results indicated that the vegetation indices applied were correlated with corn canopy nitrogen content and the wavelengths between 630-860 nm are suitable for nitrogen diagnosis. The second-order polynomial equation was the best model for nitrogen content prediction among different regression types. Analyses based on both predicted and measured data were carried out to compare the performance of existing vegetation indices.

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