The Hypersonic Materials Environmental Test System arc-jet facility located at the NASA Langley Research Center in Hampton, Virginia, is primarily used for the research, development, and evaluation of high-temperature thermal protection systems for hypersonic vehicles and reentry systems. In order to improve testing capabilities and knowledge of the test article environment, a detailed three-dimensional model of the arc-jet nozzle and free-jet portion of the flow field has been developed. The computational fluid dynamics model takes into account non-uniform inflow state profiles at the nozzle inlet as well as catalytic recombination efficiency effects at the probe surface. Results of the numerical simulations are compared to calibrated Pitot pressure and stagnation-point heat flux for three test conditions at low, medium, and high enthalpy. Comparing the results and test data indicates an effectively fully-catalytic copper surface on the heat flux probe of about 10% recombination efficiency and a 2-3 kPa pressure drop from the total pressure measured at the plenum section, prior to the nozzle. With these assumptions, the predictions are within the uncertainty of the stagnation pressure and heat flux measurements. The predicted velocity conditions at the nozzle exit were also compared and showed good agreement with radial and axial velocimetry data.

Comparisons are made between potential energy surfaces (PES) for N + N and N + N collisions and between rate coefficients for N dissociation that were computed using the quasiclassical trajectory method (QCT) on these PESs. For N + N we compare the Laganà's empirical LEPS surface with one from NASA Ames Research Center based on quantum chemistry calculations. For N + N we compare two PESs (from NASA Ames and from the University of Minnesota). These use different methods for computing the ground state electronic energy for N, but give similar results. Thermal N dissociation rate coefficients, for the 10,000K-30,000K temperature range, have been computed using each PES and the results are in excellent agreement. Quasi-stationary state (QSS) rate coefficients using both PESs have been computed at these temperatures using the Direct Molecular Simulation of Schwartzentruber and coworkers. The QSS rate coefficients are up to a factor of 5 lower than the thermal ones and the thermal and QSS values bracket the results of shock-tube experiments. We conclude that the combination of quantum chemistry PESs and QCT calculations provides an attractive approach for the determination of accurate high-temperature rate coefficients for use in aerothermodynamics modeling.