Program

P.1 -- Poster, NCTP-41

Date: Tuesday, 2 August 2016

Time: 08h30 - 10h00

Hydrogen storage in MIL-88: Computational study

O My Na, Do Ngoc Son*

Ho Chi Minh City University of Technology, VNU-HCM, Ho Chi Minh City, Vietnam. * Email: dnson@hcmut.edu.vn

Metal organic frameworks (MOFs) are considered as the most potential candidate for hydrogen adsorption. MIL-88 series is very stable toward humidity and hence suitable for hydrogen adsorption. However, no researches are available to evaluate the hydrogen storage capability of MIL-88. Here, we use the density functional theory calculations and Monte Carlo simulations to study adsorption isotherms, isosteric heats of adsorption, and Henry coefficient. Through the analysis of these quantities, we gauge the performance of MIL-88 for hydrogen storage in comparison with other MOFs. Acknowledgement This research is funded by Ho Chi Minh City University of Technology under grant number SVCQ-2015-KHUD-31

Presenter: O My Na