Publications by authors named "Truong Le Bich Tram"
Article Synopsis
- Methylene Blue (MB) is a widely used industrial chemical, and its discharge into the environment raises concern due to potential degradation effects by hydroxyl (HO˙) radicals.
- The study uses quantum chemical calculations to analyze the rapid two-step degradation of MB in water, finding a significant overall rate constant and a broad lifetime range for MB.
- The reaction produces various intermediates and by-products which could be harmful to aquatic life, raising moderate environmental concern based on the balance of safe versus toxic degradation products.
Article Synopsis
- PVP is a versatile polymer used in cosmetics and pharmaceuticals because of its low toxicity, but its synthesis via radical polymerization in organic solvents hasn’t been fully analyzed at the quantum level.
- The study successfully modeled the process of alkoxy radical polymerization of vinylpyrrolidone in solvents like isopropanol and toluene, identifying the roles of different initiator radicals in the reaction.
- Results showed that the rate of polymerization varied with the choice of initiators and solvents, with comparable rates observed when using dicumyl peroxide and di-butyl peroxide in the various solvents tested.
