|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Heat Transport at Interface in the Metal-Organic-Frameworks MOF-5
||Wenxi Huang, Peter Alex Greaney
|On-Site Speaker (Planned)
The metal-organic–framework MOF-5 is used as an adsorbent in advanced systems for vehicular hydrogen storage that are currently under development. Presently, these systems are limited by poor thermal conductivity of the adsorption bed, and thus our research addresses how the interfaces between grains of MOF-5 can be engineered to improve heat conduction. In this work we elucidate the dominant modes responsible for transmitting heat across the interface. We design 3 different types of interface for MOF-5 model achieved by changing the surface termination and simulate the interfacial heat transport across each. These results prove the basis for a set of design principles for minimizing interfacial thermal resistance in metal-organic–frameworks. The research is supported by the American Chemical Society Petroleum Research Fund.
||Planned: Supplemental Proceedings volume