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Direction-dependent elastic wave scattering and mode coupling in elastic plates

Haberman, Michael; Parker, Samuel D.

Asymmetric scattering is a phenomenon in which the field scattered from a discontinuity is dependent on the direction of incidence. In waveguide systems such as elastic plates, the existence of multiple propagating modes provides a platform to explore asymmetric scattering through direction-dependent mode coupling. This paper describes this concept in the context of reciprocal systems and how to utilize it in a general manner.

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TYPE Conference Proceeding YEAR 2024
DOIOSTI

Critical role of solvation on CC13 porous organic cages for design of porous liquids

Journal of Molecular Liquids

Rimsza, Jessica; Nenoff, Tina M.

Efficient carbon capture requires the design of new materials with high CO2 selectivity and gas adsorption capacity that can be incorporated into existing industrial processes. Porous liquids (PLs) are promising candidate materials that consist of a nanoporous host and a solvent forming a liquid with permanent porosity based on exclusion of the solvent from the interior of the nanoporous host. Stable PLs are based on solvent-nanoporous host interactions, which can be evaluated through molecular simulations. Here, time- and temperature-dependent density functional theory simulations were performed between four solvents, 2-bromophenol, 4-methylphenol, 2,4-dimethylphenol, and cyclohexanone and the CC13 porous organic cage (POC) as a prototypical PL composition. Overall, minimal reactions occurred in the PL including no changes in the POC structure. Additionally, POC-solvent coordination occurred through interactions of neighboring functional groups such as methyl/bromide and hydroxyl on the solvent molecules with the POC surface. Therefore, the location rather than the number of functional groups on the solvent molecule controls the POC-solvent interactions. Additionally, the POC pore window contracted or expanded up to 8% during solvation, which correlates with the experimental solubility and static solvent-POC binding, where solvents that caused less contraction of the POC pore window increased POC solubility. These results allow for the design of optimized POC-based PL compositions based on solvent-nanoporous host binding and variation in the pore window during solvation.

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TYPE Journal Article YEAR 2024
DOIOSTIScopus
Results 526–550 of 99,299
Results 526–550 of 99,299