(648d) Modeling Based Approach towards on-Scale Implementation of a Methanethiol Emitting Reaction

Reactions emitting volatile organic compounds (VOC) pose unique environmental challenges which must be addressed upon scale-up. Efficient implementation of such processes requires thorough understanding of the VOC generation rate as well as knowledge of the ultimate fate of the VOC. Modeling tools can assist in developing this fundamental process understanding and, in doing so, may reduce the time required for scale-up. Using DynoChem, a kinetic model of a methanethiol generating reaction was developed. This model was then used to optimize the reaction temperature profile, with the goal of evenly distributing the methanethiol off-gas flow rate throughout the course of the reaction. Through the use of modeling, two reaction temperature profiles were identified that reduced the maximum off-gas flow rate by 75 % while only increasing the reaction cycle time by 15 %. The two temperature profiles were verified via lab scale experiments and then successfully implemented at the pilot plant scale. This modeling based approach proved effective at quickly identifying and implementing process solutions to mitigate the environmental risk associated with scale-up of this methanethiol producing reaction.