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CCSS Seminar (Joachim Sauer, 2016 Ipatieff Lecturer)

Tuesday, October 4, 2016 | 4:00 PM - 5:00 PM CT
Pancoe-NSUHS Life Sciences Pavilion, Pancoe Auditorium, 2200 Campus Drive, Evanston, IL 60208 map it

Joachim Sauer
Humboldt University of Berlin
2016 CCSS Ipatieff Lecturer
Pancoe Auditorium 

"Ab initostudies on gas adsorption & separation by metal-organic frameworks"

Abstract:
A quantum chemical ab initio method is presented that is based on free energy calculations for adsorption complexes on individual sites (Mg2+, organic linker) of metal-organic frameworks. In combination with multi-site Langmuir models and Bragg-Williams models for lateral interactions, accurate isotherms have been obtained for H2 in MOF-5, as well as CH4, CO and N2 in CPO-27-Mg (MOF-74-Mg).

Audience

  • Faculty/Staff
  • Student
  • Post Docs/Docs
  • Graduate Students

Contact

Jeff Henderson   (847) 467-1972

jeffhenderson@northwestern.edu

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