(189br) Isotropic-Nematic-Smectic Transition of Highly Confined Semi-Flexible Polymer Solutions
AIChE Annual Meeting
2018
2018 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)
Monday, October 29, 2018 - 3:30pm to 5:00pm
We investigated the phase transition of ultra-confined polymer solutions from isotropic to nematic to smectic states. Coarse grained simulation is employed to address how the competition between polymer bending rigidity and the confinement length shift the critical transition density and the corresponding polymer relaxation dynamics. We found that stronger confinement reduces the isotropic-nematic transition density for semi-flexible solutions in sub-persistence length slit geometries. Correspondingly, the molecular dynamics and the mechanical properties in the nematic state are expected to change with the polymer stiffness, length, and slit height. We find hint of enhanced diffusion along the director in the nematic state.