Detailed balance in nonequilibrium theories of chemical kinetics

1974 ◽  
Vol 61 (12) ◽  
pp. 5474-5475 ◽  
Author(s):  
R. K. Boyd
Keyword(s):  
Chemical Kinetics ◽  
Detailed Balance

Dielectronic Recombination in the Average-Atom Model

1988 ◽  
Vol 102 ◽  
pp. 215
Author(s):  
R.M. More ◽  
G.B. Zimmerman ◽  
Z. Zinamon
Keyword(s):  
Detailed Balance ◽  
Systematic Errors ◽  
Dielectronic Recombination ◽  
Rate Equations ◽  
Strong Correlations ◽  
Dense Plasmas ◽  
Atom Model ◽  
New Feature ◽  
Average Atom Model ◽  
Attachment Process

Autoionization and dielectronic attachment are usually omitted from rate equations for the non–LTE average–atom model, causing systematic errors in predicted ionization states and electronic populations for atoms in hot dense plasmas produced by laser irradiation of solid targets. We formulate a method by which dielectronic recombination can be included in average–atom calculations without conflict with the principle of detailed balance. The essential new feature in this extended average atom model is a treatment of strong correlations of electron populations induced by the dielectronic attachment process.

Refinement of state-resolved models for chemical kinetics using the data of trajectory calculations

2018 ◽  
Vol 19 (3) ◽  
pp. 1-14 ◽  
Author(s):  
Elena V. Kustova ◽  
◽  
Aleksei S. Savelev ◽  
Anastasia A. Lukasheva ◽  
◽  
...  
Keyword(s):  
Chemical Kinetics ◽  
Trajectory Calculations

WET BURNING – THE MODERN TREND IN ENVIRONMENTAL BENIGN FUEL COMBUSTION AND IN SOLUTION TO THE PROBLEM OF SUSTAINABLE DEVELOPMENT OF THE POWER GENERATION

2018 ◽  
pp. 96-117 ◽  
Author(s):  
B. S. Soroka
Keyword(s):  
Numerical Simulation ◽  
Nitrogen Oxides ◽  
Chemical Kinetics ◽  
Fuel Combustion ◽  
Transport Processes ◽  
Cfd Modeling ◽  
Furnace Chamber ◽  
Modern Trend ◽  
Atmospheric Air ◽  
No Formation

The article considers the role and place of water and water vapor in combustion processes with the purpose of reduction the effluents of nitrogen oxides and carbon oxide. We have carried out the complex of theoretical and computational researches on reduction of harmful nitrogen and carbon oxides by gas fuel combustion in dependence on humidity of atmospheric air by two approaches: CFD modeling with attraction of DRM 19 chemical kinetics mechanism of combustion for 19 components along with Bowman’s mechanism used as “postprocessor” to determine the [NO] concentration; different thermodynamic models of predicting the nitrogen oxides NO formation. The numerical simulation of the transport processes for momentum, mass and heat being solved simultaneously in the united equations’ system with the chemical kinetics equations in frame of GRI methane combustion mechanism and NO formation calculated afterwards as “postprocessor” allow calculating the absolute actual [CO] and [NO] concentrations in dependence on combustion operative conditions and on design of furnace facilities. Prediction in frame of thermodynamic equilibrium state for combustion products ensures only evaluation of the relative value of [NO] concentration by wet combustion the gas with humid air regarding that in case of dry air – oxidant. We have developed the methodology and have revealed the results of numerical simulation of impact of the relative humidity of atmospheric air on harmful gases formation. Range of relative air humidity under calculations of atmospheric air under impact on [NO] and [CO] concentrations at the furnace chamber exit makes φ = 0 – 100%. The results of CFD modeling have been verified both by author’s experimental data and due comparing with the trends stated in world literature. We have carried out the complex of the experimental investigations regarding atmospheric air humidification impact on flame structure and environmental characteristics at natural gas combustion with premixed flame formation in open air. The article also proposes the methodology for evaluation of the nitrogen oxides formation in dependence on moisture content of burning mixture. The results of measurements have been used for verification the calculation data. Coincidence of relative change the NO (NOx) yield due humidification the combustion air revealed by means of CFD prediction has confirmed the qualitative and the quantitative correspondence of physical and chemical kinetics mechanisms and the CFD modeling procedures with the processes to be studied. A sharp, more than an order of reduction in NO emissions and simultaneously approximately a two-fold decrease in the CO concentration during combustion of the methane-air mixture under conditions of humidification of the combustion air to a saturation state at a temperature of 325 K.

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