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Relaxation Time, Diffusion, And Viscosity Analysis Of Model Asphalt Systems Using Molecular Simulation, Liqun Zhang, Michael L. Greenfield
Relaxation Time, Diffusion, And Viscosity Analysis Of Model Asphalt Systems Using Molecular Simulation, Liqun Zhang, Michael L. Greenfield
Chemical Engineering Faculty Publications
Molecular dynamics simulation was used to calculate rotational relaxation time, diffusion coefficient, and zero-shear viscosity for a pure aromatic compound naphthalene and for aromatic and aliphatic components in model asphalt systems over a temperature range of 298–443 K. The model asphalt systems were chosen previously to represent real asphalt. Green–Kubo and Einstein methods were used to estimate viscosity at high temperature 443.15 K. Rotational relaxation times were calculated by nonlinear regression of orientation correlation functions to a modified Kohlrausch–Williams–Watts function. The Vogel–Fulcher–Tammann equation was used to analyze the temperature dependences of relaxation time, viscosity, and diffusion coefficient. The temperature dependences …
Mesophase Separation And Probe Dynamics In Protein-Polyelectrolyte Coacervates, A. Basak Kayitmazer, Himadri B. Bohidar, Kevin W. Mattison, Arijit Bose, Jayashri Sarkar, Akihito Hashidzume, Paul S. Russo, Werner Jaeger, Paul L. Dubin
Mesophase Separation And Probe Dynamics In Protein-Polyelectrolyte Coacervates, A. Basak Kayitmazer, Himadri B. Bohidar, Kevin W. Mattison, Arijit Bose, Jayashri Sarkar, Akihito Hashidzume, Paul S. Russo, Werner Jaeger, Paul L. Dubin
Chemical Engineering Faculty Publications
Protein–polyelectrolyte coacervates are self-assembling macroscopically monophasic biomacromolecular fluids whose unique properties arise from transient heterogeneities. The structures of coacervates formed at different conditions of pH and ionic strength from poly(dimethyldiallylammonium chloride) and bovine serum albumin (BSA), were probed using fluorescence recovery after photobleaching. Measurements of self-diffusion in coacervates were carried out using fluorescein-tagged BSA, and similarly tagged Ficoll, a non-interacting branched polysaccharide with the same size as BSA. The results are best explained by temporal and spatial heterogeneities, also inferred from static light scattering and cryo-TEM, which indicate heterogeneous scattering centers of several hundred nm. Taken together with previous dynamic …