Abstract:

Complex systems with multi-scale structures are widely encountered in chemical engineering. As a critical link between elemental interactions and system behavior，meso-scale structures are important for the quantification and optimization of the relevant processes. Meso-scale structures also present a common feature in different research areas such as chemistry，material，biology，physics and system science，which calls for an interdisciplinary research effort. This paper tries to elucidate the significance，challenges and methods of meso-scale simulation for chemical engineering in the background of multi-scale research.

Key words:

多尺度, 介尺度, 复杂系统, 高性能计算, 模拟

摘要：

化工过程普遍面对具有多尺度结构的复杂系统，而作为从基本单元相互作用形成系统整体行为与功能的关键环节，介尺度结构对化工过程的定量描述和定向调控具有重要意义。同时，化学、材料、生物、物理和系统科学等领域也都逐步认识到各自的介尺度问题及其共同特性。这表明对介尺度结构与行为共性的深入研究将对科学界产生全局性的影响，同时也表明这样的研究必须通过多学科充分交流、紧密合作才能取得重大进展。本文试图从多尺度研究的背景出发探讨化工及相关过程中介尺度模拟的意义、挑战和方法，并展望其发展。

关键词:

多尺度, 介尺度, 复杂系统, 高性能计算, 模拟