Event Title

Minimizing Harmful Emissions from Common Explosives

Session Number

Project ID: CHEM 06

Advisor(s)

Dr. Joseph Golab, Illinois Mathematics and Science Academy

Discipline

Chemistry

Start Date

20-4-2022 10:05 AM

End Date

20-4-2022 10:20 AM

Abstract

The intention of this molecular modeling chemistry project was to minimize harmful emissions from the common explosives trinitrotoluene (TNT) and composition-4 (C4). The explosives were modeled in Spartan, a molecular modeling software that allows for a variety of molecular calculations. Exothermic activation energy calculations were completed to understand initial energies required in the explosions and visualize how those energies fluctuate when certain groups of the molecule are modified. After decreasing activation energies to an amount that still allows for the reaction to occur, molecule structure was analyzed. The balance of harmful products was observed.

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Apr 20th, 10:05 AM Apr 20th, 10:20 AM

Minimizing Harmful Emissions from Common Explosives

The intention of this molecular modeling chemistry project was to minimize harmful emissions from the common explosives trinitrotoluene (TNT) and composition-4 (C4). The explosives were modeled in Spartan, a molecular modeling software that allows for a variety of molecular calculations. Exothermic activation energy calculations were completed to understand initial energies required in the explosions and visualize how those energies fluctuate when certain groups of the molecule are modified. After decreasing activation energies to an amount that still allows for the reaction to occur, molecule structure was analyzed. The balance of harmful products was observed.