- ... reaction0.1
- Exept for the natural gas where the produced energy is about 50 %.
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- ...O2)0.2
- The maximum efficiency of the combustion engine is limited by the Carnot efficiency (
40 %). In reality, the efficiency of the transformation from chemical to mechanical through thermal energy is
25 % for hydrogen
air mixtures, slightly higher than for petrol
air mixtures. On the other hand, the efficiency of the direct process of electron transfer from oxygen to hydrogen is not limited by the Carnot efficiency and it can reach 50
60 %[2].
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- ... theory2.1
- Most of MP2 calculations are done with Gaussian98 [47] however, recent MP2 and CCSD(T) computations were performed with the NWCHEM[48] program.
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- ...2.2
-
Detailed examination of the values given in this figure
shows that the slope of the full regression is parallel to the line obtained when connecting the benzene and the central coronene value
(most left- and right-hand circles), which are the sites on the route from benzene to graphene for high-symmetry
platelets.
In this approach, the constant part of Eq. 2.1,
, would be slightly lower (0.15 kJ
mol
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- ... gas.3.1
- See Chapter 1 for the estimation of the adsorption free energy of nonideal H2 gas from the results of an ideal gas simulation and the experimental Equation of State, and refs. hill and hilla).
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- ...5.1
- The reason that some of the curves are not fully symmetric is a consequence of the lowering of the tube symmetry i.e. if a scan starts from the centre of a hexagon on the left side it is not obligatory to end up at the same geometry site on the right side.
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- ...5.2
- In the case of graphene
graphene system
is the distance between the layers, while in the case of nanotubes its value coincides with the diameter of the nanotube.
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- ...5.3
- The armchair modifications of the carbon foams have always two of their sides longer. However, this difference gets negligible with increasing the size of the pores.
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- ...5.4
- The reason to take the contribution from only the nearest 5 lattice cells, is that the length of the lattice parameters in those directions is 3 to 5 times larger than those along the channel axis. However, the more distant contributions are coming from atoms which are at least 40 Å away e.g the contribution is virtually zero.
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- ...5.5
- The pair interaction potential have been only optimised for H2
C
pairs. (see Chapter 2.4)
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- ... density6.1
- For the CIG, the graphite (interlayer distance "d"=7) and the graphite with dislocations the material densities are respectively 0.064, 0.015 and 0.082 C-atoms per Å
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