Polyamide 6 (PA6) is a semi-crystalline thermoplastic used in many engineering applications due to high strength, good chemical resistance, and excellent wear/abrasion resistance…
Humic acid substances (HAs) in natural soil and sediment environments effect the retention and degradation of insensitive munitions compounds and legacy high explosives (MCs): DNAN, DNi- NH4+, nMNA, NQ, NTO (neutral and anionic forms), TNT, and RDX…
Arsenic is an environmentally prevalent health hazard due to its toxicity combined with its natural abundance and its use in industrial agriculture (i.e. pesticides). It has been shown to play a role in cardiovascular disease, neurotoxicity, and various forms of cancer…
Parathion was once a commonly used pesticide before it was banned due to toxicity. While Parathion is quite toxic, it metabolizes in the human body to create the much more dangerous chemical of paraoxon…
Porphyrin dyes have the potential to serve many functions in our society; however, there are several sites in which to modify the dye, which when coupled with the number of available substituent groups leads to an explosion in possible dyes, each with their own unique optical response…
Porphyrin dyes have the potential to serve many functions in our society; however, there are several sites in which to modify the dye, which when coupled with the number of available substituent groups leads to an explosion in possible dyes, each with their own unique optical response…
Porphyrin dyes have the potential to serve many functions in our society; however, there are several sites in which to modify the dye, which when coupled with the number of available substituent groups leads to an explosion in possible dyes, each with their own unique optical response…
Porphyrin dyes have the potential to serve many functions in our society; however, there are several sites in which to modify the dye, which when coupled with the number of available substituent groups leads to an explosion in possible dyes, each with their own unique optical response…
The C–F bond in perfluoroalkyl substances (PFAS) is one of the strongest single bonds known in chemistry and provides for a high degree of durability. This makes PFAS molecules highly desirable in a range of applications…
Excited state properties of molecules is a computationally daunting task that requires a lot of CPU hours. Moreover, as we increase the size of the molecule, we also increase the size of the orbital excitations that needs to be considered…
Aluminum is an important component in many consumer goods, such as automobiles. Ore refinement and the production of end products incurs a significant energy cost. An alternative is to leverage liquid metal embrittlement (LME); here, a liquid metal alloys with a solid matrix to form a brittle alloy…
Excited state properties of molecules are a computationally daunting task that requires a lot of CPU hours. Moreover, as we increase the size of the molecule, we also increase the size of the orbital excitations that needs to be considered…
Chemical processes can often be elucidated at the atomistic level via computational chemistry methods. These methods typically revolve around quantum and molecular mechanics descriptions…
Per- and polyfluoroalkyl substances (PFAS) are fluorochemicals that are extremely persistent and widely distributed, and capable of bioaccumulation. Found in a variety of locations these compounds cause a variety of health issues in humans and our feedstocks…
Per-and polyfluoroalkyl substances (PFAS), otherwise known as “forever chemicals” have garnered intense attention given their recalcitrance to capture and degradation, persistence in the environment, widespread reach around the world, and detrimental health impacts on humans…