Shaping Gas Fuel Storage; Upderstanding the Thermal Properties of Porous Metal-Organic Frameworks

Professor Chen, Yue   (Co-Principal Investigator (Co-PI) (for projects led by other university))

Professor Li Zhigang   (Project coordinator)

36

2023-06-30

420000

Shaping Gas Fuel Storage; Upderstanding the Thermal Properties of Porous Metal-Organic Frameworks

Heat transfer; Water desalination; Interfacial science

Thermal

C6020-22G

Collaborative Research Fund (CRF) - Group Research Project 2022/2023

2022

On-going

i) To construct the force fields for the functionalized SAM PNs/water systems and calculate the solar-thermal conversion efficiency based on the first-principles calculations. Typical SAMs including -S(CH2)4CH3, -S(CF2)4CF3, -S(CH2)5OH, -S(CH2)4COOH, -S(CF2)4COOH and PNs (i.e, Au, Ag, Cu and TiN PNs) will be considered.ii) To propose a multiscale computational framework combing atomistic simulations and hydrodynamics modeling for simulating the vapor generation process and dynamics of the SAM functionalized PNs/water systems.iii) To understand the fundamental relationship between surface functionalization of PNs, interfacial thermal and mass transport process between functionalized PNs and water, and bubble dynamics during the evaporation process through the developed multiscale computational framework.iv) To design a high-efficient solar-thermal water desalination/purification system using PNs with optimized SAM functionalization groups and sizes based on these fundamental understandings.