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生物精炼双胞胎转型:生物化学品/材料的数字化 - 发现,设计和优化
Matej Žula1, Miha Grilc2, Andrii Kostyniuk3
1Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. matej.zula@ki.si.
Chimia
|December 22, 2023
概括
这项研究探讨了从可再生生物质来源,如甘和红素,生产有价值的平台化学物质. 先进的建模技术提高了对这些可持续原料的理解,并优化了这些可持续原料的转化.
科学领域:
- 生物质转换生物质转换
- 催化剂是一种催化剂.
- 可再生能源的化学.
背景情况:
- 平台化学品是各种行业的关键组成部分.
- 需要可持续的生产方法来取代基于化石燃料的工艺.
- 生物质为化学合成提供了多样化和可再生的原料.
研究的目的:
- 研究从各种生物来源生产的平台化学物质.
- 分析催化和下游转化过程.
- 利用多尺度建模来理解机制和优化过程.
主要方法:
- 生物质原料的催化转化 (糖醇,素,纤维素,生物油,海产品).
- 下游加工用于产品隔离和净化.
- 数字描述包括密度函数理论 (DFT) 和动力建模.
主要成果:
- 成功地将各种生物质来源转化为平台化学品.
- 从DFT和动力模型中获得了详细的机械洞察力.
- 为增强平台化学产量确定了优化策略.
结论:
- 多尺度建模对于理解复杂的生物质转化途径是有效的.
- 从可再生资源中可持续生产平台化学品是可行的.
- 优化流程可以提高生物化学制造的效率和经济可行性.
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