Toward a Computer-Aided Synthesis and Design of Biorefinery Networks: Data Collection and Management Using a Generic Modeling Approach
Toward a Computer-Aided Synthesis and Design of Biorefinery Networks: Data Collection and Management Using a Generic Modeling Approach
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DOI：
10.1021/sc400179f
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发表时间：
2014-01-01
影响因子：
8.4
通讯作者：
Sin, Gurkan
中科院分区：
文献类型：
--
作者：
Cheali, Peam;Gernaey, Krist V.;Sin, Gurkan
最近对生物炼制的研究导致了许多相互竞争的概念和技术，用于将可再生生物基原料转化为一系列有前途的产品，包括燃料，化学品，材料等。本研究的主题是收集和管理复杂的生物炼制数据，这些数据是支持基于超结构的优化研究所需的。为此，我们首先制定了一个综合的热化学和生物化学生物炼制的上层建筑，然后使用一个通用的建模方法来代表每个处理技术的上层建筑。通用模型参数包括反应产率、公用事业消耗和分离效率等，这些参数是根据从公开文献中报告的详细生物炼制案例研究中收集的输入-输出数据（从严格模型生成）确定的。结果是一个经过验证的数据库，用于扩展的生物精炼网络，结合热化学和生化平台，代表2882条潜在的生物精炼路线。经验证的生物炼制数据库是公开的，可用于交叉验证和基准新的生物炼制技术和概念，以及基于超结构的优化研究。
Recent research into biorefineries resulted in many competing concepts and technologies for conversion of renewable biobased feedstock into an array of promising products including fuels, chemicals, materials, etc. The topic of this study is collection and management of the complex biorefinery data that are needed among others to Support the superstructure-based optimization studies.. To this end, we first formulate an integrated thermochemical and biochemical biorefinery superstructure and then use a generic modeling approach to represent each processing technology in the superstructure. The generic model parameters includes reaction yield, utility consumption, and separation efficiency among others, which are identified on the basis of input-output data (generated from rigorous models) collected from detailed biorefinery case studies reported in the open literature. The outcome is a verified database for the extended biorefinery networks combining thermochemical and biochemical platforms that represents 2882 potential biorefinery routes. The validated biorefinery database is made public and can be used to cross-validate and benchmark new biorefinery technologies and concepts as well as in superstructure-based optimization studies.