Thermal decomposition of CH{sub 2}Cl{sub 2}
Conference
·
OSTI ID:10158334
The thermal decomposition of CH{sub 2}Cl{sub 2} has been investigated in reflected shock waves experiments at temperatures between 1400--2300 K and at three different loading pressures with various initial CH{sub 2}Cl{sub 2} concentrations. The resulting product Cl-atoms are monitored by the atomic resonance absorption spectrometer (ARAS) technique. A reaction mechanism is used to numerically simulate the measured Cl-atom profiles in order to obtain rate constants for the two primary dissociation reactions: (1) CH{sub 2}Cl{sub 2} {yields} CHCl + HCl and (2) CH{sub 2}Cl{sub 2} {yields} CH{sub 2}Cl + Cl. The experimental second-order Arrhenius expressions for the two reactions are k{sub 1}/[Kr] = 2.26 {times} 10{sup {minus}8} exp(-29007 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1} and k{sub 2}/[Kr] = 6.64 {times} 10{sup {minus}9} exp(-28404 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}, with standard deviations of {plus_minus}43% and 40%, respectively. Results are compared to theoretical calculations using the semi-empirical Tore formalism. The best fits to the experimental data obtained with threshold energy and collisional energy transfer parameters of E{sub 10}{sup o} = 73.0 kcal mole{sup {minus}1} and {Delta}E{sub 1down} = 630 cm{sup {minus}1}. Similar values for reaction (2) are E{sub 20}{sup o} = {Delta}H{sub 20}{sup o} = 78.25 kcal mole{sup {minus}1} and {delta}E{sub 2down} = 394 cm{sup {minus}1}.
- Research Organization:
- Argonne National Lab., IL (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 10158334
- Report Number(s):
- ANL/CHM/CP--80988; CONF-940711--15; ON: DE94013303
- Country of Publication:
- United States
- Language:
- English
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