Browsing by Author Nam B. Le
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A theoretical approach to quantitatively determine the photothermally driven enhancement of molecular mobility of graphene-indomethacin mixtures under infrared laser irradiation is proposed. Graphene plasmons absorb incident electromagnetic energy and dissipate them into heat. The absorbed energy depends on optical properties of graphene plasmons, which are sensitive to structural parameters, and concentration of plasmonic nanostructures. By using theoretical modelling, temperature gradients of the bulk drug with different concentrations of graphene plasmons are calculated. From these, the temperature dependence of structural molecular relaxation and diffusion of indomethacin are dete... |
Physical properties of the pressure-induced activation volume and dynamic decoupling of ternidazole, glycerol, and probucol by the elastically collective nonlinear Langevin equation theory is theoretically investigated. Based on the predicted temperature dependence of activated relaxation under various compressions, the activation volume is determined to characterize effects of pressure on molecular dynamics of materials. It is found that the decoupling of the structural relaxation time of compressed systems from their bulk uncompressed value is governed by the power-law rule. The decoupling exponent exponentially grows with pressure below 2 GPa. The decoupling exponent and activation... |
