An accurate molecular model to predict competitive binary adsorption in metal organic frameworks with open metal sites


This work focuses on developing afully transferable model to predict adsorption in Metal-Organic Frameworks (MOFs) with coordinatively unsaturated metal sites (CUS). MOFs are of great interest to the scientific community due... [ view full abstract ]


  1. Christopher Campbell (University of Strathclyde)
  2. Miguel Jorge (University of Strathclyde)
  3. Jose Gomes (CICECO- Aveiro Institute of Materials)
  4. Michael Fischer (University of Bremen)

Topic Areas

Advances in molecular simulation , Carbon capture and other industrial applications


I & C - 2 » Parallel Session - Interfaces and Confined Phenomena (10:30 - Thursday, 7th September, Prestonfield)

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