Modelling of Chemical Reactors: From Systemic Approach to Compartmental Modelling
Modelling of Chemical Reactors: From Systemic Approach to Compartmental Modelling
复制标题
化学反应器建模：从系统方法到分区建模
DOI：
--
复制
发表时间：
2018
期刊：
影响因子：
--
通讯作者：
J. Leclerc
中科院分区：
文献类型：
--
作者：
J. Haag;C. Gentric;C. Lemaitre;J. Leclerc
为了考虑流体力学对其行为的影响，化学反应器传统上被建模为较小的理想反应器的组合：完全搅拌或塞流反应器。这种建模主要基于反应器流体动力学，但有时也基于控制所考虑过程的现象，如传热、传质或化学反应。文献中遇到的方法从最基本的将整个反应器视为理想反应器的方法开始，直到使用计算流体动力学（CFD）进行非常精细的离散化。在两者之间，反应器可以被描述为少数理想反应器的联合体：这是系统方法。最近还开发了另一种中间方法：隔室法，其中假定所有隔室都是完全混合的。在隔室方法中，隔室数明显比系统方法更重要，但比CFD方法要低。此外，这些隔间的选择与它们在空间中的位置相关，而不是与系统模型相反，在大多数情况下，系统模型只考虑全局物理行为。与CFD相比，在考虑最重要的流动特征时，隔间模型的计算要求更低。本文综述了近60年来化学反应工程中常用的不同类型的模型，从系统方法到CFD，重点介绍了具有吸引力的隔间模型。特别是，详细介绍了确定隔室结构所遇到的方法，以及确定隔室之间湍流通量的不同可能性。
Abstract To take into account the impact of hydrodynamics on their behavior, chemical reactors are traditionally modeled as an association of smaller ideal reactors: perfectly stirred or plug flow reactors. This modeling is mainly based on the reactor hydrodynamics but sometimes also on phenomena governing the considered process such as heat or mass transfer or chemical reaction. The approaches encountered in the literature start from the most basic one in which the whole reactor is considered as an ideal reactor, up to a very fine discretization using Computational Fluid Dynamics (CFD). In between, the reactor can be described as an association of a small number of ideal reactors: this is the systemic approach. Another intermediate approach has also been recently developed: the compartmental method, where all compartments are assumed to be perfectly mixed. In the compartment method, the compartment number is significantly more important than in the systemic approach - but lower than for CFD. Furthermore, these compartments are chosen to be relevant regarding their position in space as opposed to systemic models in which, in most of cases, only the global physical behavior is taken into account. Compared to CFD, compartment models are less computationally demanding while taking into account the most important flow features. The present review describes the different types of modeling commonly used in chemical reaction engineering during the last 60 years from the systemic approach to CFD, with a focus on the attractive compartmental modelling. In particular, the methodologies encountered to determine the compartment structure are detailed, as well as the different possibilities to determine the turbulent fluxes between compartments.