Rebuilding experimental nonequilibrium radiation in shock-heated Martian-like mixture flows using electronic state-to-state approach

An electronic state-to-state approach is developed to reproduce numerically the radiative processes in the experiments on the Electric Arc Shock Tube facility at NASA Ames Research Center. The experiments measured the spectral radiance of C2 Swan band and CO 4th Positive band behind the strong shock wave in a Martian-like mixture. The present state-to-state approach solves the electronic states of strong radiators by integrating the collisional-radiative model into the master equations in the frame of Euler equations. Particularly, the electron impact dissociation of CO is included, and the rate coefficients are proposed for the electronic state-specific heavy-particle impact excitation and dissociation of C2. The nonequilibrium radiation behind the shock is calculated by the line-by-line method, and it is then convoluted using the calibrated smearing function in order to compare with the experiments. The state-specific simulation results is found to agree well with both spectral and spatial measurement data. The simulated electronic state populations of CO and C2 deviate from Boltzmann distributions significantly, which could explain the failure of previous two-temperature quasi-steady-state based simulations.

Atomic and Molecular Laser-Induced Breakdown Spectroscopy of Selected Pharmaceuticals

Laser-induced breakdown spectroscopy (LIBS) of pharmaceutical drugs that contain paracetamol was investigated in air and argon atmospheres. The characteristic neutral and ionic spectral lines of various elements and molecular signatures of CN violet and C2 Swan band systems were observed. The relative hardness of all drug samples was measured as well. Principal component analysis, a multivariate method, was applied in the data analysis for demarcation purposes of the drug samples. The CN violet and C2 Swan spectral radiances were investigated for evaluation of a possible correlation of the chemical and molecular structures of the pharmaceuticals. Complementary Raman and Fourier-transform-infrared spectroscopies were used to record the molecular spectra of the drug samples. The application of the above techniques for drug screening are important for the identification and mitigation of drugs that contain additives that may cause adverse side-effects.

Atomic and Molecular Laser-Induced Breakdown Spectroscopy of Selected Pharmaceuticals

Laser-induced breakdown spectroscopy (LIBS) of pharmaceutical drugs that contain paracetamol is investigated in air and argon atmospheres. Characteristic neutral and ionic spectral lines of various elements and molecular signatures of CN violet and C2 Swan band systems are observed. The relative hardness of all drug samples is measured as well. Principal component analysis, a multivariate method, is applied in data analysis for demarcation purposes of the drug samples. The CN violet and C2 Swan spectral radiances are investigated for evaluation of possible correlation of the chemical and molecular structures of the pharmaceuticals. Complementary Raman and Fourier-transform-infra-red spectroscopies are used record molecular spectra of the drug samples. The applicationof the above techniques for the drug screening are important for identification and mitigation of drugs that reveal additives that may cause adverse side-effects.