In this paper, the authors have given information regarding intermolecular interactions of aqueous dextran solution in urea. The behavior of dextran in urea has been examined by the help of ultrasonic interferometer working at frequency 5MHz at different temperatures ranging from 303 K to 323 K in 5K interval. Ultrasonic speed, density, viscosity measurements have been used for the evaluation of thermodynamic parameters like Gibb’s free energy (ΔG) as well as acoustical parameters are acoustic impedance (Z), isentropic compressibility (β), intermolecular free length (Lf ) and relaxation time (τ), etc. The results have been used to throw light on the nature of the interaction among solute and solvent, interpreted in the light of structural rearrangement occurs in the aqueous dextran and urea solution.
Aim: To find out the molecular interaction of solute dextran of different concentration with sodium hydroxide as a solvent. Materials: Dextran of molecular weight 70000 dalton and aqueous 1(N) Sodium hydroxide. Methods: To Measure the density by specific gravity bottle, Viscosity by Ostwald's viscometer and ultrasonic velocity through ultrasonic interferometer of the solution and to calculate the thermo acoustical parameters using the measured parameters. Results: Ultrasonic wave propagation affects the physical properties of the medium and hence furnishes information on the physics of liquid and solution. I have used the measured parameters, like ultrasonic velocity, density, viscosity and evaluated parameters to understand the solute-solute and solute-solvent interactions in the solution containing dextran with sodium hydroxide. Conclusion: The effect of frequency on thermo acoustical parameters had been studied. From the above studies, the nature of forces between molecules such as hydrogen bonds, charge transfer complexes, breaking of hydrogen bonds and complexes had been interpreted. Intermolecular forces (electrostatic forces between charged particles of a permanent dipole and an induced dipole molecules) are weak. Structural characteristics of the components arising from geometrical fitting of one molecules in to another due to the difference in shape and size of the molecules. In the present study ultrasonic velocity (U), viscosity (η) and density (ρ) have been measured at temperature 308 K in the solution of sodium hydroxide with polymer dextran in the concentration range 0.1% to 1 % at four different frequencies i.e. 1 MHz, 5 MHz, 9 MHz and 12 MHz using ultrasonic interferometer. The measured values of ultrasonic velocity (U), viscosity (η) and density (ρ) have been used to calculate the thermoacoustic parameters namely free volume (V f), internal pressure (πi), attenuation coefficient /absorption coefficient (α), Rao's constant (R) and Wada's constant (W) etc, These acoustical parameters are highly essential in studying various types of molecular interactions in liquid solution and provide qualitative information regarding the physical nature and quality of the molecular interaction in binary mixture dextran 1(N) sodium hydroxide. The molecular interactions like electrostriction, acceptor-donor association, dipole-dipole association and hydrogen bonding have been analyzed based on these parameters. Molecular interactions provide an understanding of the fundamental problems concerned with the mechanism of chemical and biochemical catalysis and the paths of the chemical reaction.
Aim: The major goal of this fascinating study was to determine the molecular interaction of the polymer dextran with urea in an aqueous media using a more straightforward technique. Background: Many physical approaches play important roles in identifying the molecular structure and molecular characteristics of various solutions. In recent years, advances in ultrasonic methods have become a potent tool for assessing information regarding the physical and chemical behaviour of liquid molecules. Objective: The acoustical parameters like “free volume, internal pressure, absorption coefficient, Rao’s constant, and Wada’s” constantare evaluated from the measured data. The significance gives subjective information on the type and quality of solute-solvent particle interactions in liquid solutions. Methods: Specific gravity bottles, Ostwald's viscometer, and multifrequency ultrasonic interferometer were used to determine density (ρ), viscosity (η), and ultrasonic speed (U) in binary systems of biopolymer dextran with urea at 313 K. Results: With thorough examination of the results, A careful study of the findings revealed the link between the solute and the solvent.. In the light of solute-solvent and solute-solute interactions, the fluctuation of these parameters with a change in dextran concentration and frequency has been examined. Conclusion: The thermo-acoustic value indicates that there is an atomic interaction in the solution. In the current systems, extremely weak molecular interactions such as solute-solvent, solute-solute, etc. are commonly seen. . The force and type of contact are largely determined by the structure. Others: Ultrasonic velocity measurements have proved useful in determining the nature of molecular interaction in pure liquids and binary solutions.
Aims: This study aimed to investigate the molecular interactions of dextran as a solute with sodium hydroxide as a solvent. Background: The propagation of ultrasonic waves through solids and liquids offers vital information on the structure of solids and liquids. The molecular interaction in pure liquids and liquid solutions has also been explored using ultrasonic speed estimates. The ultrasonic speed in a fluid provides a cutting-edge, feasible, and trustworthy technique for examining the characteristics of the polymer, amino acid, carbohydrate, and vitamin arrangements, among other things. It is mainly connected to the binding capacities of particles or molecules and has been successfully used in comprehending the concept of molecular interaction in liquid solution. Ultrasonic velocity measurement allows for the precise evaluation of several relevant acoustical characteristics that are particularly sensitive to molecular interactions. Objective: The acoustic and thermodynamic characteristics were utilised to investigate different types of interactions, molecular motion, and different interaction modes and their effects, which were impacted by the size of the pure component and the mixes. The significance provides subjective data on the nature and quality of particle interactions between solute and solvent in liquid solutions. Acoustic characteristics are important for evaluating the effect of temperature and frequency on the polymer dextran's aqueous sodium hydroxide solvent interactions. The density (ρ), viscosity, and ultrasonic speed (η) at 303 K, 308K, 313 K, 318K and 323K have been measured in the systems of polymer dextran with aqueous sodium hydroxide solution by using a pycnometer, Ostwald viscometer, and ultrasonic interferometer at frequencies at 1MHz, 5MHz, 9MHz, 12MHz, respectively. The acoustic parameters, such as free volume, internal pressure, attenuation coefficient, Rao’s constant, and Wada’s constant, are determined using the experimental parameters, including density (ρ), viscosity (η), and ultrasonic speed (U). Method: In this study, a pycnometer, an Ostwald's viscometer, and an ultrasonic interferometer to measure the density, viscosity, and ultrasonic velocity of the solution and compute the thermo-acoustic parameters based on the measured parameters were used. Result: Ultrasonic wave propagation affects the physical characteristics of the medium, providing information about liquid and solution. Conclusion: The effect of frequency and temperature on thermo-acoustic properties was studied. The aforementioned research has interpreted the nature of forces between molecules, such as hydrogen bonds, charge transfer complexes, and the breakdown of hydrogen bonds and complexes. Intermolecular forces are weak (electrostatic forces between charged particles having a permanent dipole and molecules with induced dipoles). The geometrical fitting of one molecule into another, owing to the variation in shape and size of the molecules, results in structural properties of the components. Other: In recent years, advances in ultrasonic methods have made them a potent instrument for assessing knowledge about the physical and chemical behaviour of liquid molecules. Due to its versatile pharmaceutical, biological, and contemporary uses, it has drawn analysts' attention to a new area of investigation. Consistent data on the physical and chemical characteristics of a wide range of liquid solutions are required.
Background: Small concentration of magnetic material, in general the transition metal atoms (TM) when doped into a semiconductor, it behaves as a diluted magnetic semiconductor (DMS). It has an application to Quantum computing & spintronic devices. DMS silicon carbide have strong coupling and high Curie temperature. The magnetic and electronic properties of SiC with TMs impurities have been in focus for theoretical and experimental researchers. Objective Objective: The objective of this work is to study the electrical and magnetic properties of tungsten doped cubic SiC. Comparing the density of states plot with and without impurity, the change in property happening due to the presence of tungsten is observed. Partial density of states, are also plotted and interpreted. Self-consistent spin polarized calculations are done to study the magnetic properties. Magnetic Moment is also calculated for substitutional doping of SiC at different sites. Methods: Tungsten doped 3C-SiC is investigated by using the first-principle energy code, Quantum Espresso that uses pseudopotential within Density Functional Theory (DFT). The calculations are done by density functional pseudopotential energy calculations in periodic systems by solving iteratively the Kohn Sham equation in a plane wave basis set. Both norm conserving and Vanderbilt USPP are used. Self-consistent iterations were performed until a convergence of total energy and total charge was obtained. We used different k-point meshes for different supercells with 16, 54 and 128 atoms giving results for carious impurity percentages. Results: The formation energy values obtained indicate that W impurity prefers Si site than C site in cubic SiC. Presence of a narrow band towards the conduction band minimum is due to the W-d states for Si site substitution. Both spin-up and spin-down states contribute towards the valence band and a small contribution goes towards the conduction band. The magnetic moment values for C site substitution is lower than Si site substitution. Conclusion: It is observed when W doped with Si site of cubic silicon carbide shows ferromagnetic behavior. Hence, there is a possibility of 3C SiC doped with W at C site to behave as a semi- insulating material
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