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The computed AM1 and B3LYP/6-31G(d) transition state structures for cyanoethene addition to cyclopentadiene are not so similar as one would expect based on the parent cycloaddition reaction. The addition of 1,1-dicyanoethylene to cyclopentadiene has an asynchronous transition state. There is disag...
monomers, dimers, and trimers), we find that the CO-binding strength increases with increasing size of the Pd cluster (Fig.1g); therefore, Pd dimers and trimers are expected to exhibit higher reactivity than isolated Pd atoms. Such a trend can be rationalized by the position of the...
Calculated using Scherrer equation (K = 0.9) using NiO (2 0 0) peak in XRD, d(Ni, nm) = d(NiO, nm) x 0.847 equation was used to calculate the crystallite size of Ni. The N2 adsorption–desorption isotherms along with the cumulative pore volume of the 5% Ni/SBA-15 supported catalys...
The quasi-steady state kinetics of the CO water–gas shift reaction was studied for fractions of Ni-containing cerium oxide catalysts in fixed-bed experiments at lab-scale level using a very dilute gas (1% CO + 1.8% H2O in He). A set of experiments with a microchannel reactor was ...
Figure 1.Reaction routes of pentene mono- and bimolecular cracking. Zhu et al. [14] investigated the effect of reaction conditions on the cracking of butene to ethylene and propylene. They found that the ethylene selectivity increased gradually with increased temperature and decreased WHSV, while th...
𝑌CH4C2H4YC2H4CH4= ethene yield with regard to methane yeq;𝑖yeq;i = mole fraction of component 𝑖i 2.5.2. System of Equations for MEM and nGH Pyrolysis For MEM and nGH, similar assumptions were made for PM pyrolysis, which resulted in a system of equations for calculating the conver...
of zeolite acidity. It was found that with the increase of AHFS concentration, the acid density decreased, whereas the ratio of Brønsted acid to Lewis acid first increased and then decreased. Meanwhile, the percentage of Brønsted acid inside the supper cages increased and the strength of ...
Equation (1) presents the reversible chemical reaction of Cu2O/CuO system with energy content and equilibrium temperature at oxygen partial pressure of 0.21 bar. 2Cu2O (s) + O2 (g) 4CuO (s) + ∆H, ∆H = 810 kJ/kg, Teq = 1020 ◦C at p(O2) = 0.21 bar. (1) Energies 2019...