(180e) Computer-Aided Modeling for Tailor-Made Design of Surrogate Fuels
In this paper, we have applied the idea of chemical product design methods to tailor-made surrogate fuels design. Generic design steps are given to help people establishing a comprehensive design model, within these steps, ingredients are generated and selected, the composition is obtained; methods and tools are integrated to assist in modeling of the design problem; solution strategy is discussed to achieve optimal results. The developed method is then applied to two case studies of tailor-made surrogate fuel design problems (gasoline blends and jet fuel blends). The design of surrogate fuels could reduce the amount of fossil fuel consumption. At the same time, the requirements of safety environmental friendly are met because the harmful chemicals are replaced with safer ones. In addition, the product attributes are improved by adding bio-based additives to enhance the specific product attributes. Two solution approaches have been developed and tested. One is a mathematical programming based blend design where a MINLP model is derived and solved for the blend design problem. Another is a hybrid method where the complex blend design problem is decomposed into smaller sub-problems, where the generate-test paradigm are mathematical programming combined with rule-knowledge based techniques. Both approaches together with the associated data, models, solvers, etc., are part of a chemical product design software, ProCAPD. The design results show the effectiveness and efficiency of the computer-aided chemical product design method.
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