Polyelectrolyte gels for consumer products Dissipative particle - PowerPoint PPT Presentation

Polyelectrolyte gels for consumer products Dissipative particle Model development and Modeling studies of structure and dynamics mesoscale quantitative description hydrodynamics of surfactant loaded simulations of surfactant aggregation polyelectrolyte gels (consumer products) Coarse‐graining: 4% of SDS (0.5 M) Kim et al Rheol. prop. & Micro‐ structures of 10nm Carbopol Gel Network Colloid Polym. Sci. , 2003 281 , 614 Short‐range repulsive forces 50A 3 M salt added + long‐range electrostatics i Surfactant 10% 80% loading vs Surfactant content to dry polymer w No Plus surface surfactant tension surfactant (SDS)

Modeling interactions of nanoparticles with lipid bilayers Nanoparticle adhesion to Dissipative particle Nanoparticle supported bilayer (to be dynamics mesoscale penetration through studied) simulations free‐standing bilayer Exper.: (simulation results) bilayer Coarse‐graining: covers larger particles, but not smaller ones Roiter et al Langmuir , 25 (2009), 6287 Free energy calculation with ghost tweezers method: Projected mechanisms of nanoprticle interactions with supported bilayers 0 Z   ( ) ( ) F Z S z dz  NP SLB GT Z

Asphaltene aggregation and precipitation in crude oil asphaltenes Transport pipe plugged by asphaltenes Fractal-resembling flocks of asphaltenes at different stages of precipitation resin

Mechanisms of aggregation: mesoscale simulation study +C7 BITUMEN BULK

Multicatalyst Polyeletrolyte Membranes: Versatile Multifunctional Platforms for Reactive Separations, Nanocatalysis, Sensors, and Nanomedicine Biosensors CWA decomposed X Water vapor from body Polyoxametallate Self-decon- nanoclusters for taminating CWA catalytic protective oxidation clothing Nanostructured O O O O OH Si Si O Si O O O PEM facilitates O O O H Si O H transport of water - CH 2 NO 2 H 3 N + and reactants HO Cooperative Catalysis Cooperative Metal oxide nanoparticles d R R R R 3 catalysts for CWA catalytic hydrolysis R 3 R R R R R R R R R CW A CW A R 2 R 2 R R R R R R R R R R R R R H 2 O H 2 O R R R 3 R R 3 Polyelectrolyte membrane (PEM) loaded with nanocatalysts for Nanomaterials for controlled hydrolysis and oxidation of multicatalyst photosynthetic drug delivery systems * chemical warfare agents (CWA) Catalytic systems Applications Nanomedicine