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Computational design of structured chemical products
Frontiers of Chemical Science and Engineering ( IF 4.3 ) Pub Date : 2021-01-02 , DOI: 10.1007/s11705-020-2002-1
Faheem Mushtaq , Xiang Zhang , Ka Y. Fung , Ka M. Ng

In chemical product design, the aim is to formulate a product with desired performance. Ingredients and internal product structure are two key drivers of product performance with direct impact on the mechanical, electrical, and thermal properties. Thus, there is a keen interest in elucidating the dependence of product performance on ingredients, structure, and the manufacturing process to form the structure. Design of product structure, particularly microstructure, is an intrinsically complex problem that involves different phases of different physicochemical properties, mass fraction, morphology, size distribution, and interconnectivity. Recently, computational methods have emerged that assist systematic microstructure quantification and prediction. The objective of this paper is to review these computational methods and to show how these methods as well as other developments in product design can work seamlessly in a proposed performance, ingredients, structure, and manufacturing process framework for the design of structured chemical products. It begins with the desired target properties and key ingredients. This is followed by computation for microstructure and then selection of processing steps to realize this microstructure. The framework is illustrated with the design of nanodielectric and die attach adhesive products.



中文翻译:

结构化化工产品的计算设计

在化学产品设计中,目标是配制具有所需性能的产品。成分和内部产品结构是产品性能的两个关键驱动因素,它们直接影响机械,电气和热性能。因此,对阐明产品性能对成分,结构和形成结构的制造工艺的依赖性非常感兴趣。产品结构的设计,特别是微观结构的设计,是一个内在复杂的问题,涉及具有不同理化性质,质量分数,形态,尺寸分布和互连性的不同阶段。最近,出现了有助于系统的微观结构定量和预测的计算方法。本文的目的是回顾这些计算方法,并说明这些方法以及产品设计中的其他发展如何在结构化化学产品设计的建议性能,成分,结构和制造工艺框架中无缝地工作。它从所需的目标特性和关键成分开始。随后进行微结构的计算,然后选择实现该微结构的加工步骤。纳米介电和芯片连接粘合剂产品的设计说明了该框架。随后进行微结构的计算,然后选择实现该微结构的加工步骤。纳米介电和芯片连接粘合剂产品的设计说明了该框架。随后进行微结构的计算,然后选择实现该微结构的加工步骤。纳米介电和芯片连接粘合剂产品的设计说明了该框架。

更新日期:2021-01-02
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