Vortrag: Harnessing acid catalyzed hydrocarbon conversion reactions: from conventional to circular chemistry

Acid catalysis is the workhorse in conventional petroleum refining and, at present, assumes a crucial role in circular chemistry. Skeletal rearrangement and cracking reactions, together with hetero atom removal, are at the basis of hydrocarbon stream quality upgrading. Streams from a fossil (VGO) as well as from a circular (pyrolysis oils) origin require adequate treatment prior to being sent for base chemicals and (sustainable aviation) fuel production. The accurate prediction of product yields and selectivities obtained in such kind of treatments presents a significant asset. The numerous species and elementary steps interconverting them in a multiphase environment are harnessed within the PR1ME software framework. With routines for feedstock reconstruction, intrinsic kinetics and multi-scale reactor modeling, PR1ME is a forefront tool to assess and steer commercial production data and operation.