Thermodynamics of Polymer Blends and Block Copolymers Under Extreme Nanoconfinement in Dense Nanoparticle Packings

Anastasia Neuman, University of Pennsylvania

0000-0002-2315-9546

ACCESS Allocation Request CHM210018

Abstract:

Infiltration of polymer into the interstices of close-packed nanoparticle packings leads to the formation of highly loaded nanocomposites with superb mechanical and transport properties. Confinement of polymers has been an active area of research for years, inducing changes in glass transition temperature, dynamics, and morphology of these materials. The impact of confinement on the properties of polymer blends, particularly within the pores of nanoparticle packings, is much less understood. Our previous work funded by XSEDE used a hybrid-particle field implementation of self-consistent field theory to investigate the miscibility of polymer blends under increasing confinement within the pores of dense nanoparticle packings. We found that two polymers that would undergo macroscopic phase separation become miscible when they are subjected to extreme nanoconfinement, and the strength of the repulsion required to induce phase separation increases significantly as confinement increases. We are requesting this ACCESS allocation to expand upon this finding by investigating the effect of polymer blend asymmetries, such as a blend of two polymers of varying length, stiffness, or nanoparticle surface interactions, on the thermodynamics and equilibrium structure of the blend. We will also investigate the equilibrium structure of block copolymers confined with dense nanoparticle packings.

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Allocations:

2024	Purdue Anvil CPU	2,000.0 SUs
2024	Purdue Anvil GPU	11,107.0 SUs
The estimated value of these awarded resources is $7,505.55. The allocation of these resources represents a considerable investment by the NSF in advanced computing infrastructure for the U.S. The dollar value of the allocation is estimated from the NSF awards supporting the allocated resources.
2023	Purdue Anvil CPU	53,901.0 SUs
2023	Purdue Anvil GPU	4,981.0 SUs
The estimated value of these awarded resources is $3,586.40. The allocation of these resources represents a considerable investment by the NSF in advanced computing infrastructure for the U.S. The dollar value of the allocation is estimated from the NSF awards supporting the allocated resources.

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