Molecular Signature Descriptors for Integrated Flowsheet and Molecular Design

摘要

The reverse problem formulation is a technique for solution of integrated process andrnproduct design problems from a properties perspective. In this work, an algorithm isrnintroduced for reverse problem formulations using property operators based onrnmolecular signature descriptors. A general framework has been developed for thernintegration of flowsheet design techniques with the solution of combined process andrnmolecular design problems.