![]() ![]() Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables. Ruscic,Īb initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species. The fraction oxidized is 100 percent (IPCC 2006). The average carbon dioxide coefficient of liquefied petroleum gases is 235.7 kg CO 2 per 42-gallon barrel (EPA 2021). The fraction oxidized to CO 2 is 100 percent (IPCC 2006). 1.118 of the Thermochemical Network (2015) available at Īctive Thermochemical Tables: Dissociation Energies of Several Homonuclear First-Row Diatomics and Related Thermochemical Values. The average carbon dioxide coefficient of distillate fuel oil is 431.87 kg CO 2 per 42-gallon barrel (EPA 2021). Ruscic, Active Thermochemical Tables (ATcT) values based on ver. Wagner,Īctive Thermochemical Tables: Thermochemistry for the 21 st Century.ī. Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.ī. There is not much variation in this, even with new vs old vehicles the main factor that changes it is any unburnt fuel passing through the engine. The approximate CO2 per litre of diesel fuel is 2.68kg, and for petrol it is approximately 2.31kg. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network. The Measured Quantity is normaly given in the original units in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. ![]() The listed Reaction acts as a link to the relevant references for the measurement. Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. Top contributors to the provenance of Δ fH° of CO2 (g) The 7 contributors listed below account for 90.3% of the provenance of Δ fH° of CO2 (g). ,Īnd was also used for the initial development of high-accuracy ANLn composite electronic structure methods. This version of ATcT results was partially described in Ruscic et al. Selected ATcT enthalpy of formation based on version 1.118 of the Thermochemical Network ![]()
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