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首页> 外文期刊>Biotechnology Progress >Application of Modeling and Simulation Tools for the Evaluation of Biocatalytic Processes: A Future Perspective
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Application of Modeling and Simulation Tools for the Evaluation of Biocatalytic Processes: A Future Perspective

机译：建模和仿真工具在生物催化过程评估中的应用：未来展望

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Modeling and simulation techniques have for some time been an important feature of bio-catalysis research, often applied as a complement to experimental studies. In this short review, we report on the state-of-the-art process and kinetic modeling for biocatalysis with the aim of identifying future research needs. We have particularly focused on four aspects of modeling: (i) the model purpose, (ii) the process model boundary, (iii) the model structure, and (iv) the model identification procedure. First, one finds that most of the existing models describe biocatalyst behavior in terms of enzyme selectivity, mechanism, and reaction kinetics. More recently, work has focused on extending these models to obtain process flowsheet descriptions. Second, biocatalysis models remain at a relatively low level of complexity compared with the trends observed in other engineering disciplines. Hence, there is certainly room for additional development, i.e., detailed mixing and hydrodynamics, more process units (e.g., biorefinery). Third, biocatalysis models have been only partially subjected to formal statistical analysis. In particular, uncertainty analysis is needed to ascertain reliability of the predictions of the process model, which is necessary to make sound engineering decisions (e.g., the optimal process flowsheet, control strategy, etc). In summary, for modeling studies to be more mature and successful, one needs to introduce Good Modeling Practice and that asks for (i) a standardized and systematic guideline for model development, (ii) formal identifiability analysis, and (iii) uncertainty analysis. This will advance the utility of models in biocatalysis for more rigorous application within process design, optimization, and control strategy evaluation.
机译：一段时间以来，建模和仿真技术一直是生物催化研究的重要特征，通常作为对实验研究的补充。在这篇简短的评论中，我们报告了生物催化的最新工艺和动力学模型，旨在确定未来的研究需求。我们特别关注建模的四个方面：（i）模型目的，（ii）过程模型边界，（iii）模型结构和（iv）模型识别过程。首先，人们发现大多数现有模型都根据酶的选择性，机理和反应动力学来描述生物催化剂的行为。最近，工作集中在扩展这些模型以获得过程流程图描述。其次，与其他工程学科中观察到的趋势相比，生物催化模型的复杂度仍然较低。因此，当然还有进一步开发的空间，即详细的混合和流体动力学，更多的工艺单元（例如生物精炼厂）。第三，生物催化模型仅部分进行了正式的统计分析。特别地，需要不确定性分析来确定过程模型的预测的可靠性，这对于做出合理的工程决策（例如，最佳过程流程图，控制策略等）是必要的。总之，要使建模研究更加成熟和成功，就需要引入良好的建模规范，这要求（i）模型开发的标准化和系统性指南，（ii）正式可识别性分析和（iii）不确定性分析。这将提高模型在生物催化中的实用性，以便在过程设计，优化和控制策略评估中更严格地应用。

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