Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables. Ruscic,ДЄb initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species. 1.118 of the Thermochemical Network (2015) available at ДЄctive Thermochemical Tables: Dissociation Energies of Several Homonuclear First-Row Diatomics and Related Thermochemical Values. Ruscic, Active Thermochemical Tables (ATcT) values based on ver. Wagner,ДЄctive Thermochemical Tables: Thermochemistry for the 21 st Century.Д«. Introduction to Active Thermochemical Tables: Several 'Key' Enthalpies of Formation Revisited.Д«. 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.Д¬H3CH2OHВ (l) + 3В O2В (g) в†’ 2В CO2В (g) + 3В H2OВ (cr,l)Д¬H3CH2OHВ (g) + 3В O2В (g) в†’ 2В CO2В (g) + 3В H2OВ (cr,l) 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 О” fHВ° of CH3CH2OH (l) The 20 contributors listed below account only for 75.5% of the provenance of О” fHВ° of CH3CH2OH (l).ДЄ total of 186 contributors would be needed to account for 90% of the provenance. In each chart the pressure range is from 70 to 7000 kPa (10 to 1000 psia) and the temperature range is from 5 to 260 C. In these charts, K-values for individual components are plotted as a function of temperature on the x-axis with pressure as a parameter. ,ДЄnd was also used for the initial development of high-accuracy ANLn composite electronic structure methods. One of the earliest K-value charts for light hydrocarbons is presented in reference 1. 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

K values of hydrogen depriester chart