Accurate Prediction of Methane Adsorption in a Metal-Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation

Linjiang Chen, Lukas Grajciar, Petr Nachtigall, Tina Duren

School of Engineering

Research output: Contribution to journal › Article › peer-review

1 results

Finished
IGSCC: Innovative gas separations for carbon capture
Brandani, S. (Principal Investigator), Düren, T. (Co-investigator) & Sarkisov, L. (Co-investigator)
EPSRC
1/10/09 → 30/09/13
Project: Research