Reaction network flux analysis: Optimization‐based evaluation of reaction pathways for biorenewables processing
Reaction network flux analysis: Optimization‐based evaluation of reaction pathways for biorenewables processing
复制标题
DOI：
10.1002/aic.12704
复制
发表时间：
2012-06
期刊：
影响因子：
3.7
通讯作者：
A. Voll;W. Marquardt
中科院分区：
文献类型：
--
作者：
A. Voll;W. Marquardt
尽管生物质作为化学和燃料工业的原材料越来越受到关注，但只有少数生物基生产工艺尚未建立。与此同时，许多新的催化路线被提出，但它们在生物炼制中的应用潜力难以预测。反应网络通量分析（RNFA）是一种新型的快速筛选方法，通过（1）系统识别和（2）基于有限数据对大量替代反应途径进行分析和排序，弥合化学或生物催化与工艺设计之间的差距。这种基于优化的方法有助于检测有希望的生产路线以及可能途径中的瓶颈。RNFA方法的潜力和应用将通过从平台化学品衣康酸（IA）生产潜在生物燃料3-甲基-四氢呋喃（3-MTHF）的案例研究来证明。© 2011美国化学工程师学会AIChE J，58：1788-1801，2012
Even though biomass is attracting increasing interest as a raw material in the chemical and the fuel industries, only few biobased production processes are yet established. At the same time a lot of new catalytic routes are proposed, but their potential in biorefinery applications is hard to predict. Reaction network flux analysis (RNFA) is introduced as a novel, rapid screening method which bridges the gap between chemo‐ or biocatalysis and process design by (1) systematically identifying and (2) subsequently analyzing and ranking the large number of alternative reaction pathways based on limited data. This optimization‐based method helps to detect promising production routes as well as bottlenecks in possible pathways. The potential and the application of the RNFA methodology will be demonstrated by means of a case study for the production of the potential biofuel 3‐methyl‐tetrahydrofuran (3‐MTHF) from the platform chemical itaconic acid (IA). © 2011 American Institute of Chemical Engineers AIChE J, 58: 1788–1801, 2012