SUPR
Thermo-pyridine
Dnr:

NAISS 2025/22-252

Type:

NAISS Small Compute

Principal Investigator:

Alexander Konnov

Affiliation:

Lunds universitet

Start Date:

2025-02-17

End Date:

2026-03-01

Primary Classification:

10407: Theoretical Chemistry

Allocation

Abstract

This project primarily focuses on the theoretical modeling of pyridine-related compounds in current biofuels, encompassing thermodynamic data. Investigating pyridine is of significant importance for constructing comprehensive and rational biofuel combustion models. However, the availability of thermodynamic and kinetic data for pyridine remains limited, necessitating detailed investigation through theoretical methodologies.