Hydrogen distribution sensitivity analysis

Figure 11.9 shows a static sensitivity analysis for a region with 100 fueling stations. The transport costs have been calculated to show the influence of the different parameters based on certain assumptions about transport distance and cars per FS. In the sensitivity analysis shown, the assumptions were 10 km dedicated distribution pipeline for each FS and 60 /MWh electricity costs for liquefaction. Onsite technologies are considered if transportation costs exceed 9 ct/kWh of hydrogen and if utilization is not too low (no fewer than 100 cars per FS). 

The last issue that remains to be addressed is whether the MBL results are sensitive to the characteristic diffusion distance L one assumes to fix the outer boundary of the domain of analysis. In the calculations so far, we took the size L of the MBL domain to be equal to the size h - a of the uncracked ligament in the pipeline. To investigate the effect of the size L on the steady state concentration profiles, in particular within the fracture process zone, we performed additional transient hydrogen transport calculations using the MBL approach with L = 8(/i — a) = 60.96 mm under the same stress intensity factor Kf =34.12 MPa /m and normalized T-stress T /steady state distributions of the NILS concentration ahead of the crack tip are plotted in Fig. 8 for the two boundary conditions, i.e. / = 0 and C, =0 on the outer boundary. The concentration profiles for the zero flux boundary condition are identical for both domain sizes. For the zero concentration boundary condition CL = 0 on the outer boundary, although the concentration profiles for the two domain sizes L = h - a and L = 8(/i - a) differ substantially away from the crack tip. they are very close in the region near the crack tip, and notably their maxima differ by less than... 

Charge Distribution. In Table 7 the net atomic charges on the two carbon atoms (not related by symmetry) and on the hydrogen are shown for all four PDA structures studied. These charges have been calculated again with a Mulliken-type population analysis of HF Bloch functions obtained with an electrostatically balanced (N—16)77 truncation procedure. We found that the charge distributions are also very sensitive to the method of truncation as well as to a proper convergence with respect to N. 

The masses employed in calculating the moments and products of inertia must correspond to a single isotope for each atom in the molecule. Since the principal moments of inertia are different for different isotopic forms of a molecule, quite different rotational spectra are obtained. In fact, if the molecular mass distribution in a molecule is changed, the rotational spectrum is affected. The spectrum of 2-chloropyridine can, hence, be expected to be quite different from that of 3-chloropyridine. The implications for qualitative analysis of these chemical isomers are obvious. Rotational isomerism also changes the mass distribution, which is illustrated in Fig. 10. The sensitivity of the transition frequency to isotopic composition is shown in Fig. 5 for hydrogen selenide. From a study of the rotational spectrum of different isotopic forms, additional information is obtained that can be used to evaluate de-... 

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