Coupled jump rotational dynamics in aqueous nitrate solutions
P Banerjee, S Yashonath, B Bagchi - The Journal of Chemical Physics, 2016 - pubs.aip.org
A nitrate ion ( NO 3−) with its trigonal planar geometry and charges distributed among
nitrogen and oxygen atoms can couple to the extensive hydrogen bond network of water to …
nitrogen and oxygen atoms can couple to the extensive hydrogen bond network of water to …
Study on the structure of aqueous potassium chloride solutions using the X-ray diffraction and Raman spectroscopy methods
F Li, J Yuan, D Li, S Li, Z Han - Journal of Molecular Structure, 2015 - Elsevier
Many researchers have studied potassium chloride aqueous solutions, whereas, for the
tests were carried out at different conditions, the results with diverse concentrations were not …
tests were carried out at different conditions, the results with diverse concentrations were not …
Fluctuation enhancement of ion diffusivity in liquids
MA Orekhov - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
The diffusivity of ions in liquid solutions is known either to decrease with an increase in the
ion size or to have a single maximum depending on the ion size. This article presents …
ion size or to have a single maximum depending on the ion size. This article presents …
Ionic conductivity in aqueous electrolyte solutions: Insights from computer simulations
P Kumar, S Yashonath - Journal of Molecular Liquids, 2019 - Elsevier
There exist a large amount of data on conductivity of various ions in aqueous and non-
aqueous solvents as a function of ionic radius, pressure, temperature, ionic concentration …
aqueous solvents as a function of ionic radius, pressure, temperature, ionic concentration …
Effect of interionic interactions on the structure and dynamics of ionic solvation shells in aqueous electrolyte solutions
P Kumar, MD Bharadwaj, S Yashonath - RSC advances, 2016 - pubs.rsc.org
We have performed molecular dynamics (MD) simulations to explore the structure and
dynamics of the ionic solvation shells of alkali ions and halide ions in aqueous solution …
dynamics of the ionic solvation shells of alkali ions and halide ions in aqueous solution …
Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics
A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair
correlation functions is developed to analyze electrolyte dynamics. We apply the theory to …
correlation functions is developed to analyze electrolyte dynamics. We apply the theory to …
Dependence of diffusivity on density and solute diameter in liquid phase: A molecular dynamics study of Lennard-Jones system
SR Varanasi, P Kumar, S Yashonath - The Journal of Chemical …, 2012 - pubs.aip.org
Investigations into the variation of self-diffusivity with solute radius, density, and degree of
disorder of the host medium is explored. The system consists of a binary mixture of a …
disorder of the host medium is explored. The system consists of a binary mixture of a …
Fabrication of Functional Nanostructured Polymers Based on Thermotropic and Lyotropic Liquid Crystals Derived from Sustainable Resources
R Dong - 2024 - search.proquest.com
Nanostructured materials, characterized by their interconnected nanoscale constituent
structures, have garnered significant attention from scientific communities and industries due …
structures, have garnered significant attention from scientific communities and industries due …
Effect of pressure on the ionic conductivity of Li+ and Cl− ions in water
SR Varanasi, P Kumar, Y Subramanian - The Journal of Chemical …, 2012 - pubs.aip.org
A molecular dynamics simulation study of aqueous solution of LiCl is reported as a function
of pressure. Experimental measurements of conductivity of Li+ ion as a function of pressure …
of pressure. Experimental measurements of conductivity of Li+ ion as a function of pressure …
Mode coupling theory of electrolyte dynamics: Time dependent diffusion, dynamic structure factor and solvation dynamics
S Roy, S Yashonath, B Bagchi - arXiv preprint arXiv:1501.01845, 2015 - arxiv.org
A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair
correlation functions is developed to analyze electrolyte dynamics. We apply the theory to …
correlation functions is developed to analyze electrolyte dynamics. We apply the theory to …