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MD Simulation and Analysis of the Pair Correlation Functions, Self-Diffusion Coefficients and Orientational Correlation Times in Aqueous KCl Solutions at Different Temperatures and Concentrations
In this study, we investigate some structural and dynamical properties of aqueous KCl solutions at different temperatures and concentrations. We...
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Self-Diffusion and Molecular Association in a Cyclohexane–Methanol Binary System at Temperatures of 298 and 323 K
AbstractSelf-diffusion in a cyclohexane–methanol binary system was studied by the pulsed gradient spin-echo 1 H NMR method at temperatures of 298 (in...
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Self-Diffusion of Ferulic and Sinapic Acids in the Binary Carbon Tetrachloride–Acetone-d6 System
Abstract1 H NMR with a pulsed magnetic field gradient method are used to measure the coefficients of self-diffusion of ferulic and sinapic acids in...
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Probing the self-diffusion process in Aluminium
An in-depth understanding of the diffusion process in liquid metals is a key to design and engineering new high-performance materials. In this study,...
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A New Possibility to Recognize the Concentration Dependence of Sedimentation Coefficients
The binding constants of self-associating proteins can be determined from sedimentation velocity runs using the numerical solution of the Lamm...
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Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient
This study is seeking a better understanding of polyethylene glycol (PEG) as a solvent to promote its use in chemical synthesis. The effect of adding...
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Shear Viscosity and Self-Diffusion in Water
AbstractAn analysis is performed of two important transport processes in a liquid water: kinematic shear viscosity and self-diffusion. The approach...
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Modification of the Stefan’s Rule for the Surface Tension Coefficients of Liquids
AbstractA modification of the “Stefan’s rule” for the surface tension coefficients of liquids has been proposed, with the modification consisting in...
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Dynamics in nanoporous materials probed by 2H solid state NMR: estimation of self-diffusion coefficients
2 H solid-state NMR represents a reliable method for probing the dynamics of the molecules in confined geometries, including microporous and...
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Model of confined water self-diffusion and its application to proton-exchange membranes
A model of self-diffusion in confined water is proposed. It is based on the idea that confined water forms structures similar to hexagonal ice and...
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Diffusion coefficients of electrorheological complex (dusty) plasmas
Equilibrium molecular dynamics (EMD) simulations have been executed to investigate the parallel ( D ║ ) and perpendicular ( D ┴ ) diffusion coefficients...
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A new method for evaluation of diffusion coefficients of alpha emitters via mathematical treatment of alpha spectra
The article describes the results of experiments on sorption of various alpha emitting radionuclides on thin-layer sorbents consisting of manganese...
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Calculation of Virial Coefficients, Joule–Thomson Inversion Curve and Mutual Diffusion for Binary Mixtures
AbstractIn this study, the reliability of the Peng–Robinson–Stryjek–Vera (PRSV) cubic equation of state to estimate the second and third virial...
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Molecular dynamics simulation of the effects of intermolecular interactions on the diffusion mechanism of 1,2,3-benzotriazole in low density polyethylene
It is of great significance to understand the diffusion rate of the volatile corrosion inhibitor (VCI) in the VCI films for corrosion inhibition. The...
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Self-diffusion of nanoscale particles with hard and soft sphere models
The diffusion of particles in suspension is investigated by a thermostat based on fluctuating hydrodynamics for dynamic simulations of...
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Molecular Mobility in Aqueous Systems of Primary Aliphatic Amino Alcohols
AbstractSelf-diffusion coefficients (SDCs) of 3-amino-1-propanol (3AP), monoethanolamine (MEA), and water molecules are measured via 1 H NMR using a...
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Mutual Diffusion Coefficients and Refractive Index Increments of K2SO4(aq) at 298.15 K from Rayleigh Interferometry
Isothermal mutual diffusion coefficients (interdiffusion coefficients) were measured for K 2 SO 4 (aq) at 298.15 ± 0.00 5 K, at numerous concentrations...
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Molecular simulations of thermodynamic properties of trigeminal tri-cationic ionic liquids: number of rings and anion type effects
Structural and dynamical properties of nonlinear trigeminal tri-cationic imidazolium-based ionic liquids (TT-X 3 , X = Br ¯ , NO 3 ¯ , BF 4 ¯ ) have been...
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Identification of Distinct Soluble States During Fibril Formation Using Multilinear Analysis of NMR Diffusion Data
Protein misfolding and self-assembling into amyloid structures are associated with a number of diseases. Characterization of protein amyloid...
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Self-Diffusion of Fullerene С60 Derivatives in Aqueous Solutions and Suspensions of Erythrocytes According to Pulsed Field Gradient NMR Data
AbstractDetermination of the mechanism of substance penetration in biological cells is one of the fundamental problems of metabolism. Interest in the...
