Determination of Heats of Atomization and Heats of Combustion of PAHs... (cont'd)
Автор: Pavlis Honors College - Michigan Tech
Загружено: 2021-03-16
Просмотров: 25
Full title: Determination of Heats of Atomization and Heats of Combustion of PAHs via Accurate Quantum Mechanical Model Chemistries
The description of the physical-chemical properties of single molecules at the electronic structure level is of paramount importance for the understanding of the formation and assembly of particulate matter in various environments and under different thermodynamic conditions. With this in mind, this project aims at the quantum chemical determination and extrapolation of thermodynamic properties such as heats of formation and heats of combustion of Polycyclic Aromatic Hydrocarbons (PAHs), whose existence and influence on their chemical surroundings span from the origin of Life in the interstellar medium to their formation in the Earth’s atmosphere as the consequence of anthropogenic combustion events.
Presented by Steve Beuther, junior majoring in chemistry
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