Mathematical modelling of gas-phase complex reaction systems : pyrolysis and combustion

3.1.1. Methodology3.1.1.1. Partition functions; 3.1.1.2. Variational effects; 3.1.1.3. Multiple transition states; 3.1.1.4. Tunneling; 3.1.2. Abstraction; 3.1.3. Beta-scission; 3.1.4. Additions; 3.1.5. Torsions; 3.1.6. Larger molecules; 3.2. Radical-radical reactions; 3.2.1. Methodology overview; 3....
Ausführliche Beschreibung

3.1.1. Methodology3.1.1.1. Partition functions; 3.1.1.2. Variational effects; 3.1.1.3. Multiple transition states; 3.1.1.4. Tunneling; 3.1.2. Abstraction; 3.1.3. Beta-scission; 3.1.4. Additions; 3.1.5. Torsions; 3.1.6. Larger molecules; 3.2. Radical-radical reactions; 3.2.1. Methodology overview; 3.2.2. Recombination/addition; 3.2.3. Abstraction/disproportionation; 4. Pressure-dependent rates: The master equation; 4.1. Collisional energy transfer; 4.2. Single-well single-channel reactions; 4.3. Multiple-well multiple-channel reactions; 4.3.1. PAH chemistry Ausführliche Beschreibung