Details

Autor(en) / Beteiligte

• Rotavera, Brandon
• Taatjes, Craig A.

Titel

Influence of functional groups on low-temperature combustion chemistry of biofuels

Ist Teil von

• Progress in energy and combustion science, 2021-06

Ort / Verlag

United States: Elsevier

Erscheinungsjahr

2021

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Ongoing progress in synthetic biology, metabolic engineering, and catalysis continues to produce a diverse array of advanced biofuels with complex molecular structure and functional groups. In order to integrate biofuels into existing combustion systems, and to optimize the design of next-generation combustion systems, understanding connections between molecular structure and ignition at low-temperature conditions (< 1000 K) remains a priority that is addressed in part using chemical kinetics modeling. The development of predictive models relies on detailed information, derived from experimental and theoretical studies, on molecular structure and chemical reactivity, both of which influence the balance of chain reactions that occur during combustion – propagation, termination, and branching. In broad context, three main categories of reactions affect ignition behavior: (i) initiation reactions that generate a distribution of organic radicals, ; (ii) competing unimolecular decomposition of and bimolecular reaction of with O2; (iii) decomposition mechanisms of peroxy radical adducts (RO), including isomerization via RO ⇌ OOH. Furthermore, all three categories are influenced by functional groups in different ways, which causes a shift in the balance of chain reactions that unfold over complex temperature- and pressure-dependent mechanisms.