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rssMB to Phys.orgEnglish · 4 days ago

Force field simulations can reduce cost of purification and waste treatment

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Force field simulations can reduce cost of purification and waste treatment

phys.org

rssMB to Phys.orgEnglish · 4 days ago
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Important tasks like water desalination, dehumidification, and nuclear waste processing all involve expensive separation steps. A team from North Carolina State University used PSC's Bridges-2 to develop a computer simulation force field that greatly simplifies the creation of metal-organic frameworks to separate substances. Their proof-of-concept work for their PHAST 2.0 force field holds the promise of less expensive, more efficient separation of waste products from useful chemicals.

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