The statistical molecular fragmentation model compared to experimental plasma induced hydrocarbon decays

Area of Science:

• Plasma Chemistry
• Chemical Physics
• Statistical Mechanics

Background:

• Hydrocarbon decay in plasma is crucial for industrial processes like abatement.
• Predicting fragmentation pathways requires accurate molecular models.
• Experimental validation is essential for theoretical models.

Purpose of the Study:

• To compare the predictive capabilities of a new statistical molecular fragmentation (SMF) model with experimental data.
• To determine the range of excitation energies transferred to hydrocarbons in plasma.
• To investigate the formation of H2 molecules during hydrocarbon fragmentation.

Main Methods:

• Developed and applied a statistical molecular fragmentation (SMF) model.
• Conducted experiments on propene abatement in N2 using photo-triggered plasma.
• Utilized a 0D chemical kinetics model to analyze experimental fragmentation data.
• Compared SMF predictions with experimental results for ethene, ethane, propane, and propene.

Main Results:

• The SMF model accurately predicted experimental fragmentation channels for hydrocarbons at excitation energies below 6.17 eV and 8.4 eV.
• Experimental data from propene abatement in plasma was analyzed to determine fragmentation channel percentages.
• The model's predictions aligned well with previous experimental data for ethene, ethane, and propane.

Conclusions:

• The statistical molecular fragmentation model is a reliable tool for predicting hydrocarbon fragmentation in plasma.
• The study provides insights into the excitation energy transfer during plasma-induced hydrocarbon decay.
• The probability of H2 molecule formation via dynamical coupling of adjacent hydrogen atoms was assessed.