The development of a chemical kinetic mechanism for combustion in supercritical carbon dioxide

Experimental and modelling study of hydrogen ignition in CO2 bath gas

“…IDTs were modelled using Chemkin-Pro (zero-D batch reactor, constant UV) with two chemical kinetic mechanisms, namely AramcoMech 2.0 [22] and UoS sCO2 2.0 [9,11]. A 2.5%/ms dp/dt was incorporated in the simulations to account for the gradual pressure increase behind the RSW.…”

“…The rate coefficients in the UoS sCO2 2.0 mechanism were chosen based on a combination of recent reports, method of determination and how they affected the prediction of 52 IDT datasets [11].…”

“…The performance of the two mechanisms was compared using Eq. ( 1), which calculates an average absolute error (E, %) between the experimental and simulated IDTs [11].…”

“…Only a single modification was made for the creation of UoS sCO2 2.0 from the original publication [11]. The third body efficiency of CO2 was increased from 2.0 to 3.8 in Reaction 1.…”

“…Shao et al [10] studied IDTs of H2 with 85% CO2 dilution at approximately 38, 110 and 271 bar. Interestingly, the investigated chemical kinetic mechanisms showed a better agreement with the higher pressure datasets than at 38 bar [11]. Therefore, IDT data between 20 and 40 bar at various equivalence ratios and CO2 dilutions are needed to validate and improve the performance of chemical kinetics mechanisms at these conditions.…”