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KAIST Engineers Gas Lattice in Porous Materials

KAIST Engineers Gas Lattice in Porous Materials
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KAIST engineers have developed a computational framework to design porous materials that force gas molecules into ordered, crystal-like 'gas lattices.' This breakthrough could significantly improve the efficiency of carbon capture and gas separation technologies.

Why it matters

Improving gas storage and separation is critical for developing more efficient, eco-friendly industrial processes and addressing climate change.

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Capturing carbon or storing hydrogen to combat global warming requires compressing gases into sponge-like porous materials. Until now, gas molecules were thought to adsorb in a disordered manner throughout the pores. But what if invisible gas molecules could be lined up in regular order - like ice crystals or LEGO bricks?

KAIST (President Choongsik Bae) announced on August 11 that a research team led by Professor Jihan Kim from the Department of Chemical and Biomolecular Engineering has developed a computational framework that combines large-scale screening of metal - organic frameworks (MOFs)* with machine-learning-guided inverse design. Focusing on the "gas lattice" - a crystal-like ordered state formed by gas molecules under confinement - the framework enables researchers to explore a vast range of MOF structures and design candidate porous materials capable of stabilizing desired gas arrangements.

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