B. L. Tembe

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In an effort to enhance active learning in the subject of internal combustion engines, we introduced the combined use of concept mapping and online course module techniques as a part of the course. For the purpose of this study, we used an experimental design that involves a single instructor teaching the topic of introduction to the internal combustion(More)
Molecular dynamics simulations of fullerene and fullerols [C60(OH)n, where n = 2-30] in aqueous solutions have been performed for the purpose of obtaining a detailed understanding of the structural and dynamic properties of these nanoparticles in water. The structures, dynamics and hydration free energies of the solute molecules in water have been analysed.(More)
Constant temperature-constant pressure molecular dynamics simulations have been performed for aqueous alkaline earth metal chloride (M2+ - Cl- [M = Mg, Ca, Sr and Ba]) solutions over a wide range of concentrations (0.27 molal to 5.55 molal) in supercritical and ambient conditions to investigate their structural and dynamical properties. A strong influence(More)
We have studied the hydrophobic association and solvation of methane molecules in aqueous solutions of urea and glycine betaine (GB). We have calculated the potentials of mean force (PMFs) between methane molecules in water, aqueous GB, aqueous urea and aqueous urea-GB mixtures. The PMFs and equilibrium constants indicate that both urea and GB increase the(More)
Five solutions of sodium chloride in mixtures of water and dimethyl sulphoxide ͑DMSO͒ have been simulated using the conventional molecular dynamics technique. The potentials of mean force ͑PMFs͒ of the sodium chloride ion pair in the presence of the five water–DMSO mixtures with DMSO mole fractions (x DMSO) of 0.10, 0.21, 0.35, 0.48 and 0.91 have been(More)
We have performed constrained molecular dynamics simulations of magnesium chloride in water-ethanol mixtures. From the potentials of mean force (PMFs) of the Mg(2+)-Cl(-) ion pair, we notice that, as the mole fraction of ethanol increases, the depths of the minima of the contact ion pair (CIP) and solvent assisted ion pair (SAIP) increase, but the depth of(More)
Constrained molecular dynamics simulations have been performed to investigate the structure and thermodynamics of Na(+)-Cl(-) ion-pair association in water-methanol mixtures under supercritical and ambient conditions in dilute solutions. From the computed potentials of mean force (PMFs) we find that contact ion pairs (CIPs) are more stable than all other(More)
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