The shortage of conventional oil resources has pushed energy research to consider the deep utilization of heavy oil. These heavy feeds are usually complex mixtures of complex molecules whose reactions are difficult to describe in a chemical kinetics model.  As a prerequisite, obtaining the detailed compositional data of such a heavy feed is crucial to develop a molecule-based kinetic model because it will provide the initial values of each species in the kinetic model. However, heavy feedstocks are still a big challenge for traditional analytical chemistry techniques due to their complex nature (low volatility, multiple-functional components, large number of complex molecules and so on). Therefore, it is desirable to determine detailed compositional data from limited analytical techniques via computational composition modeling.  The composition model editor (CME) was developed to address this issue.

Composition modeling of heavy petroleum oil

244th National Meeting (2012)

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