化学反应工程模块

用于模拟质量平衡、能量平衡与化学反应

Chemical Reaction Engineering Module

平板反应器,反应物质在反应器中的两个位置流入。

完美适用于化学与加工行业中的所有设备操作过程

化学反应工程模块简化了化学反应器、过滤设备、混合器及其他化工过程的优化步骤。无论气态、液态、多孔介质、表面薄膜、固相内还是多相体系,该模块的专业工具都可以仿真这些环境类型中的材料传递和传热,以及任意化学动力学。这使得化工模块适合仿真化工和加工业的各个过程,甚至是环境工程(其“加工设备”或“化学反应器”即为周围环境)。

对流扩散与任意的化学反应动力学

化学反应工程模块含有直观的用户界面,可用于定义稀溶液、浓溶液或混合物中的任意数量化学物质的传递过程,包括对流、扩散和离子迁移等。这些过程可以方便地与可逆、不可逆和平衡反应相耦合,而反应动力学可以通过 Arrhenius 方程或任意速率定律描述,还可以考虑浓度和温度对反应速率的影响。定义化学反应的接口非常简洁,因为化学方程式和方程的输入方式与书面书写方式基本相同。COMSOL 使用质量作用定律来设置相应的反应表达式,您还可以使用自定义动力学表达式进行修改或重写。无论均相还是非均相,体反应还是表面反应,反应方程式中的化学计量系数用于自动定义质量平衡和能量平衡。


更多图片

  • Round Jet Burner: Simulation of turbulent combustion in a round jet burner. Results show the temperature and CO2 mass fraction in the reacting jet. Round Jet Burner: Simulation of turbulent combustion in a round jet burner. Results show the temperature and CO2 mass fraction in the reacting jet.
  • Biosensor Flow Cell: Simulation of a flow cell containing micropillars coated with an active material to support the adsorption of an analyte. Results show velocity streamlines and the concentration distribution of the adsorbed species. Biosensor Flow Cell: Simulation of a flow cell containing micropillars coated with an active material to support the adsorption of an analyte. Results show velocity streamlines and the concentration distribution of the adsorbed species.
  • Tubular Reactor Simulator: This is an app that simulates a tubular gas reactor, chemical reactions take place in a stream of gas that carries reactants from the inlet to the outlet. Mass and energy transport occur through a convection-diffusion and convection-conduction processes. Tubular Reactor Simulator: This is an app that simulates a tubular gas reactor, chemical reactions take place in a stream of gas that carries reactants from the inlet to the outlet. Mass and energy transport occur through a convection-diffusion and convection-conduction processes.
  • Water Purification by Silver Complexation: Many industrial processes leave remainders of toxic dissolved metal ions in process flows. This model example shows a purification reactor where silver ions are complexated to diamine-silver for removal. Water Purification by Silver Complexation: Many industrial processes leave remainders of toxic dissolved metal ions in process flows. This model example shows a purification reactor where silver ions are complexated to diamine-silver for removal.
  • Tubular Reactor Simulator: This is an app that simulates a tubular gas reactor, chemical reactions take place in a stream of gas that carries reactants from the inlet to the outlet. Mass and energy transport occur through a convection-diffusion and convection-conduction processes. Tubular Reactor Simulator: This is an app that simulates a tubular gas reactor, chemical reactions take place in a stream of gas that carries reactants from the inlet to the outlet. Mass and energy transport occur through a convection-diffusion and convection-conduction processes.
  • Packed Bed Reactor: This model calculates the concentration distribution of the reactor gas that flows around catalytic pellets, by also using an extra dimension to model its concentration distribution inside each of the porous catalytic pellets. Shown are the velocity streamlines at the bottom part of the reactor, where the color plot indicates the concentration. Packed Bed Reactor: This model calculates the concentration distribution of the reactor gas that flows around catalytic pellets, by also using an extra dimension to model its concentration distribution inside each of the porous catalytic pellets. Shown are the velocity streamlines at the bottom part of the reactor, where the color plot indicates the concentration.

完整的传递现象

化学反应工程模块含有计算热力学属性(包括外部热源)的工具,从而增强传热、焓平衡与材料传递、化学反应的耦合。此外,化工模块还含有定义动量传递的用户接口,让您可以考虑研究过程的整体传递现象。这包括通过 Navier-Stokes 方程、Darcy 定律和 Brinkman 方程描述的层流和多孔介质流动。通过将 CFD 模块或传热模块与您的模型耦合,您还可以融合湍流、多相流和非等温流以及辐射传热等现象。

化学反应过程优化的必需部分

化学反应工程模块适合从事化学、加工、电力、制药、聚合物和食品等行业的工程师和科学家使用,因为材料传递和化学反应与这些过程密不可分。化工模块的专业工具可以研究这些应用的各个方面:从实验室试管研究,到工厂中的化学反应器检修。为了描述精确,可以使用内置功能在受控环境下从本质上仿真反应动力学,从而进行参数估计,并与实验数据进行比较。这里,化学反应工程模块提供了多种预定义反应器类型,用于方面更多方面的研究:

  • 间歇和半间歇反应器
  • 连续搅拌釜反应器 (CSTR)
  • 活塞流反应器

这些接口均假定反应器质量恒定或体积恒定,并随带了等温、非等温和绝热等条件。这些简单的模型非常适合将优化的反应动力学融合到过程环境中,使您更加了解工程系统,并仿真各种不同的工作条件。利用从中获得的全部知识,您可以接着优化仪器设备的设计,并通过二维轴对称或三维完整模型微调操作条件。生成空间依赖性模型功能可将系统的质量平衡、能量平衡与流体流动、化学反应速率完全融合。

Modeling the Electrochemistry of Blood Glucose Test Strips

Syngas Combustion in a Round-Jet Burner

A Multiscale 3D Packed Bed Reactor

Thermal Decomposition

Porous Reactor with Injection Needle

Surface Reactions in a Biosensor

Carbon Deposition in Heterogeneous Catalysis

NOx Reduction in a Monolithic Reactor

Transport in an Electrokinetic Valve

Separation Through Dialysis

Dissociation in a Tubular Reactor