Microporous Metal Organic Materials for Hydrogen Storage

S. G. Sankar ; Jing Li ; Karl Johnson

关键词: ADSORPTION;    BIPHENYL;    DESORPTION;    HYDROGEN;    HYDROGEN STORAGE;    HYSTERESIS;    SCANDIUM;    SIMULATION;    SORPTION;    TITANIUM;    TRANSITION ELEMENTS;   

DOI  :  10.2172/961518
RP-ID  :  None
PID  :  OSTI ID: 961518
Others  :  TRN: US200919%%265

学科分类：再生能源与代替技术

美国|英语

来源: SciTech Connect

【 摘 要 】

We have examined a number of Metal Organic Framework Materials for their potential in hydrogen storage applications. Results obtained in this study may, in general, be summarized as follows: (1) We have identified a new family of porous metal organic framework materials with the compositions M (bdc) (ted){sub 0.5}, {l_brace}M = Zn or Co, bdc = biphenyl dicarboxylate and ted = triethylene diamine{r_brace} that adsorb large quantities of hydrogen ({approx}4.6 wt%) at 77 K and a hydrogen pressure of 50 atm. The modeling performed on these materials agree reasonably well with the experimental results. (2) In some instances, such as in Y{sub 2}(sdba){sub 3}, even though the modeling predicted the possibility of hydrogen adsorption (although only small quantities, {approx}1.2 wt%, 77 K, 50 atm. hydrogen), our experiments indicate that the sample does not adsorb any hydrogen. This may be related to the fact that the pores are extremely small or may be attributed to the lack of proper activation process. (3) Some samples such as Zn (tbip) (tbip = 5-tert butyl isophthalate) exhibit hysteresis characteristics in hydrogen sorption between adsorption and desorption runs. Modeling studies on this sample show good agreement with the desorption behavior. It is necessary to conduct additional studies to fully understand this behavior. (4) Molecular simulations have demonstrated the need to enhance the solid-fluid potential of interaction in order to achieve much higher adsorption amounts at room temperature. We speculate that this may be accomplished through incorporation of light transition metals, such as titanium and scandium, into the metal organic framework materials.