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Six types of gas generators based on guanidinium azotetrazolate (GZT) were designed into six formulations having different oxidants: GZT-LiNO3 (1), GZT-NaNO3 (2), GZT-KNO3 (3), GZT-Mg(NO3)2 (4), GZT-Sr(NO3)2 (5) and GZT-KMnO4 (6), respectively. The properties of these formulations were investigated in terms from gas production, appropriate combustion temperature and nontoxic gaseous emission. REAL software calculation program [1] was used to calculate the combustion heat at constant pressure, combustion heat at constant volume and specific volume in standard state. It showed that gas generators based on GZT with nitrate salts as oxidant exhibited better performance. Thus its thermal behavior and combustion temperature were studied further and the experimental results were consistent with the theoretical calculation results. Therefore, it can be concluded that formulation 3 has comprehensive optimal performance: low moisture content, insensitivity to friction, heightened vacuum stability, high combustion heat and specific volume. Namely, formulation 3 exhibited the most promising indications of commercial application, such as using in air bags of motor vehicles. [ABSTRACT FROM AUTHOR]

Using first-principles calculations, we systematically study the dissociations of O2 molecules on different ultrathin Pb(111) films. According to our previous work revealing the molecular adsorption precursor states for O2, we further explore why there are two nearly degenerate adsorption states on Pb(111) ultrathin films, but no precursor adsorption states existing at all on Mg(0001) and Al(111) surfaces. The reason is concluded to be the different surface electronic structures. For the O2 dissociation, we consider both the reaction channels from gas-like and molecularly adsorbed O2 molecules. We find that the energy barrier for O2 dissociation from the molecular adsorption precursor states is always smaller than that from O2 gas. The most energetically favorable dissociation process is found to be the same on different Pb(111) films, and the energy barriers are found to be influenced by the quantum size effects of Pb(111) films. [ABSTRACT FROM AUTHOR]