Thermochemical Kinetics of a Proposed Mechanism for Diamond Growth from Acetylene

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Abstract
We have performed a thermochemical and kinetic analysis of a previously proposed mechanism for diamond growth from C2H2. We estimate enthalpy and entropy changes for each step in the mechanism using the MM3 molecular mechanics code. Rate constants are estimated based on the assumption that reaction cross sections measured for analogous gas phase reactions may be applied to gas-surface reactions. Gas phase species concentrations are taken from measurements and modeling. The rate equations are then integrated. According to the analysis, each step in the proposed mechanism is exothermic (ΔH2H2 by some different reaction mechanism.