Collections of critically evaluated data

The two major sources of critically evaluated data for combustion modelling are the publications prepared by the CEC group [17, 36] and from Tsang and his collaborators at NIST [45, 53-56]. As well, there are a number of excellent reviews and collections of data sheets prepared by Cohen and Westberg [29, 57] in which data for a selection of combustion reactions are evaluated. 

The CEC Group on Data for Combustion Modelling was established as part of the European Commission Energy Research and Development Programme. In its first publication the data on some 200 reactions relevant 

Tsang has prepared a series of publications on data required for modelling the combustion of methane [45], methanol [53], propane [54], isobutane [55] and propene [56]. The treatment is less detailed than in the case of the CEC publications there is less evaluation of the primary data, often previous evaluations are accepted, and there is no graphical presentation of results. However, data on more than 500 reactions are considered and, where there are no experimental data, estimates of the rate constants are given. Unimolecular reactions are also treated slightly differently from the CEC evaluations as described in Section 3.3. 

The nitrogen chemistry associated with combustion in air is not dealt with in the set of papers by Tsang just cited, but in two similar publications on the high-temperature data for modelling propellant combustion, data on some of the relevant nitrogen reactions are evaluated. The reactions covered are those of the species NO, NO2, HNO, HNO2, HCN, N2O [59] and CN, NCO, HNCO [60]. 

The evaluations of Cohen and Westberg [28, 29] deal with a small number of reactions relevant to combustion (some reactions from the H2/O2 system, reactions of atomic oxygen and of OH with alkanes, NH2 and NH). The other reactions covered are mainly relevant to atmospheric chemistry. Their data sheets provide a much more detailed assessment of the primary data than most in some cases the original data are reanalysed in the light of advances since the original publication. They also make extensive use of transition state theory to interpolate between sets of data over a temperature range. 

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