Angular momentum conserving statistical method for rate constant calculations. Application to N+(3P)+H2(1Σ+g) →NH+(2Π)+H(2S)

A quasiclassical Monte Carlo simulation procedure for calculating bimolecular rate constants is presented and applied to the reaction N+(3P)+H2(1Σ+g) →NH+(2Π)+H(2S). Effective potential theory is used to generate a spherically symmetric potential energy surface from an ab initio based global potential energy surface due to Wilhelmsson and Nyman. A complex is formed if the reactants can reach the strong coupling region. Based on the available phase space, a microcanonical procedure conserving total angular momentum is used to determine into which channel the complex decomposes. Complex formation cross sections, branching ratios, and reaction cross sections are presented. Good agreement with previous trajectory calculations is found.