Hybrid modelling methodology to implementchemical process models as phenomena-basedmodules

摘要

This paper presents a hybrid framework to represent and analyse qualitativeknowledge about chemical processes to encourage the generation of intensivedesign strategies. The methodology includes the mapping of qualitative modelsinto mathematical models to quantify the effect of the proposed processconfigurations and conditions or to quantify equipment requirements. Modelsare based on the physicochemical phenomena arranged into abstract (I.e.Equipment-independent) functional, structural and behavioural modules. Theseare consistently implemented using the object-oriented features of AspenCustom Modeler. This approach is proposed to increase the flexibility,customisation and reusability of models to encourage the implementation andassessment of novel intensified and multifunctional options. The application ofthe methodology is illustrated with an aromatic nitration case study.