Reaction rate coefficients have been measured in a variable temperature selected-ion flow drift tube (SIFDT) for the reaction C3H+ + H2 → C3H2+ + H, which is found to be 1 kcal mol−1 endothermic. This implies a substantially lower value for ΔHf(C3H2+) (329±5 kcal mol−1) ...
The HO2 + H → H2 + O2 reaction has been investigated by using the LCGTO-NLSD method with the aim of determining the heat of formation of the hydroperoxyl radical HO2. The value obtained, ΔH f o(HO2, 298K) = 16.1 kJ mol-1, is in good agreement with both the most recent ...
Ab initio calculations executed at the CAS-SDCI/CASSCF/DZ(2df,2d,p)+f(S) level of theory have been employed to determine the heat of formation, ΔHf, of the parent sulfine, CH2SO, 1, relative to six experimentally well-known anchors: ΔHf(1) = −3 ± 14 kJ/mol (0 K). ...
The dissociation energy, the atomization energy, and the heat of formation for Na<sub>2</sub>S are evaluated using the G1 and G2 models. The calculated results indicated that Na<sub>2</sub>S in its ground state was a bent structure (C<sub>2v</sub>). Electron correlation corrections...
In subject area: Engineering This is the chemical heat pipe, with the heat absorbing reaction at the energy source, and the reverse heat emitting reaction at the point of consumption, combined with a pipe system. From: Energy Storage, 1980 About this pageSet alert Discover other topics ...
DeltaH3=deltaH1-deltaH2=-393.5kJ/mol-(-283.0kj/mol) =-110.5kJ/mol Fromtheabove,itcanbeseenthatgess'slawisverypractical. (2)inthechemicalcalculation,thecombinationofthermal chemicalequationcanbeusedtocalculatetheheatofreaction accordingtogess'slaw. ...
Synthesis and characterization of LnFeO 3 pigments This work is focused on determination of the optimum firing temperature which leads to formation of the compounds LnFeO 3 with good pigment-application pr... aneta Dohnalová,Petra ulcová,M Trojan - 《Journal of Thermal Analysis & Calorimetry》...
Thus the modestly high (compared to ONC) destabilization energy (DSE) and heat of formation values of CL-20 must be due to factors other than the CRSE inherent in the parent compound(s). 2. Computational Approach 2.1. Heat of Formation. Gas-phase heat of formation values were calculated ...
The negative of the conventional heat of formation calculated for cellulose from the heat of combustion of starch. c Calculated from the data for the idealised pyrolysis oil C6H8O (ΔHc = − 745.9 kcal mol−1,ΔHf = 149.6 kcal g−1, where Hc = heat of combustion and Hf = heat...
Some of these methods, such as polyol reduction, result in reduced, unsupported particles which then require impregnation onto a support in a later step [19]. Other methods are based on electroless deposition, which can lead to the undesirable formation of three-dimensional islands before complete...