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Full-Text Articles in Physical Sciences and Mathematics
Preferential Binding Effects On Protein Structure And Dynamics Revealed By Coarse-Grained Monte Carlo Simulation, Ras B. Pandey, D.L. Jacobs, Barry L. Farmer
Preferential Binding Effects On Protein Structure And Dynamics Revealed By Coarse-Grained Monte Carlo Simulation, Ras B. Pandey, D.L. Jacobs, Barry L. Farmer
Faculty Publications
The effect of preferential binding of solute molecules within an aqueous solution on the structure and dynamics of the histone H3.1 protein is examined by a coarse-grained Monte Carlo simulation. The knowledge-based residue-residue and hydropathy-index-based residue-solvent interactions are used as input to analyze a number of local and global physical quantities as a function of the residue-solvent interaction strength (f). Results from simulations that treat the aqueous solution as a homogeneous effective solvent medium are compared to when positional fluctuations of the solute molecules are explicitly considered. While the radius of gyration (Rg) of the …
Thermal Conductivity Performance Of Polypropylene Composites Filled With Polydopamine-Functionalized Hexagonal Boron Nitride, Lin Chen, Hong-Fei Xu, Shao-Jian He, Yi-Hang Du, Nan-Jie Yu, Jun Lin, Sergei I. Nazarenko
Thermal Conductivity Performance Of Polypropylene Composites Filled With Polydopamine-Functionalized Hexagonal Boron Nitride, Lin Chen, Hong-Fei Xu, Shao-Jian He, Yi-Hang Du, Nan-Jie Yu, Jun Lin, Sergei I. Nazarenko
Faculty Publications
Mussel-inspired approach was attempted to non-covalently functionalize the surfaces of boron nitride (BN) with self-polymerized dopamine coatings in order to reduce the interfacial thermal barrier and enhance the thermal conductivity of BN-containing composites. Compared to the polypropylene (PP) composites filled with pristine BN at the same filler content, thermal conductivity was much higher for those filled with both functionalized BN (f-BN) and maleic anhydride grafted PP (PP-g-ma) due to the improved filler dispersion and better interfacial filler-matrix compatibility, which facilitated the development of more thermal paths. Theoretical models were also applied to predict the composite thermal conductivity in which the …
Interface Slippage Study Between Polyamide 12 And Ethylene Butene Copolymer Melt In Capillary Extrusion, Jinhai Yang, James L. White
Interface Slippage Study Between Polyamide 12 And Ethylene Butene Copolymer Melt In Capillary Extrusion, Jinhai Yang, James L. White
Faculty Publications
Extrusion of a polyamide 12 (PA12) material through a capillary die coated with an ethylene butene copolymer (EBM) was studied. The EBM coated die significantly increased the flow rates of the PA12 melt compared to a clean die at the same extrusion pressure. Introducing a maleic anhydride grafted ethylene-octene copolymer (EOM-g-MAH) into the EBM suppressed the effect. This behavior seems only explained by significant interface slippage between PA12 and EBM melts, which could be eliminated by introducing covalent chemical bonds across the interface. A mathematical analysis was carried out to calculate the interface slippage. The shear stress where slippage began …
Rheology Of Tin Fluorophosphate Glass/Polyamide 12 Hybrids In The Low Concentration Regime, Kevin Urman, Thomas Schweizer, Joshua U. Otaigbe
Rheology Of Tin Fluorophosphate Glass/Polyamide 12 Hybrids In The Low Concentration Regime, Kevin Urman, Thomas Schweizer, Joshua U. Otaigbe
Faculty Publications
Phosphate glass (Pglass)/polymer hybrids are a unique material class that promises to help fulfill the growing need for new advanced materials. Rheological investigations into Pglass/polyamide 12 hybrids have shown a strong dependence on temperature and composition. Strong negative deviations from the log-additivity rule are also observed for these materials as well as a reduction in the activation energy for viscous flow. Hybrids containing < 2 vol. % Pglass are theologically simple fluids that display temperature independence in plots of storage modulus versus loss modulus. Hybrids containing >= 2 vol. % Pglass are rheologically complex and do not obey the time-temperature superposition principle. Through application of Han plots, we identified a structural change that occurs in hybrids containing >= 2 vol. % Pglass at …