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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Theoretical Pathway toward Improved Reverse Osmosis Membrane Selectivity for Neutral Solutes: Inspiration from Gas Separations

We report highly rigid membrane materials with tailored structures have exhibited permeabilities and selectivities that exceed the polymer upper bound in gaseous and organic solvent separations for challenging mixtures containing species that are similar in size and shape. One potential question is whether such membrane materials can maintain meaningful guest diffusivities in situations where the microporous spaces are essentially full of guest molecules. Here, we use a simplified transition state theory approach to estimate the diffusivity of water and small organics within a microporous membrane. The transition state theory model is parameterized using experimental values from zeolites and carbon molecular sieve materials found in the literature. We demonstrate the differences in transport and Maxwell–Stefan diffusivities based on guest species loading with different isotherm behaviors. These calculations theorize a path forward for highly selective reverse osmosis membranes for aqueous phase separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Advanced Modeling and Process-Materials Co-Optimization Strategies for Swing Adsorption Based Gas Separations

This project devised a computational framework for simultaneously co-optimizing pressure swing adsorption process designs along with the sorbent materials (specifically, metal-organic frameworks) to be employed in the associated packed bed columns. The materials optimization aspect involved search over a design space that can describe the material’s molecular structure, while the process optimization aspect considered various process degrees of freedom for steps arising in various cycle configurations. This framework was demonstrated on the separation of nitrogen and carbon dioxide, which arises ubiquitously in a multitude of post-combustion carbon capture and “blue” hydrogen production applications. Our results led to metal-organic framework molecular descriptor choices that are predicted to outperform standard structures used in practice, providing guidance for future metal-organic framework synthesis efforts.

20 FOSSIL-FUELED POWER PLANTS↗