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的软件

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。模块中包含的专业工具可以帮您模拟各类环境中的物质传递、传热,以及任意化学动力学,适用环境包括气态、液态、多孔介质、表面上、固相内,或所有这些的综合。这使化学反应工程模块非常适合于模拟化工和化工行业的所有方面,甚至能够用于以周围环境作为“加工设备”或“化学反应器”的环境工程。

对流扩散与任意的化学反应动力学

化学反应工程模块包含直观的用户界面,可用于定义稀溶液、浓溶液或混合物中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、不可逆和平衡反应的定义相耦合,其中的反应动力学可以通过 Arrhenius 方程或任意速率定律描述,并能够考虑浓度和温度对动力学的影响。定义化学反应的界面非常直观,化学公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适合的反应表达式,您可以按照需要进行修改或重写。无论均相还是多相反应器条件,体反应还是表面反应,都将使用反应公式中的化学计量系数来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

化学反应工程模块包含计算热力学属性(包括外部源)的工具,以增强传热、焓平衡与您的物质传递、化学反应之间的耦合。此外,模块还提供了定义动量传递的用户接口,使您能够完整描述化学过程中的传递现象。这包括由 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 模块传热模块 与您的模拟耦合,您还可以加入湍流、多相流、非等温流,以及辐射传热等。

化学反应过程优化的必需部分

在化学、化工、电力、制药、聚合物和食品等行业,物质传递和化学反应是工业过程中密不可分的一部分,化学反应工程模块尤其适合研究和分析这类问题。模块提供了化学反应工程研究从实验室的试管研究,到工厂的化学反应器检修等方方面面的各类专业工具;当与优化模块结合使用时,您还可以基于软件内置功能,在可控环境下从本质上分析化学反应,估计化学反应参数,并与实验数据比对,以更加精确的描述化学反应过程。除此之外,化学反应工程模块还提供了多种预定义的反应器类型,用于更深入的研究:

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

这些接口均提供了对恒定或可变质量或者体积的恰当定义,以及等温、非等温和绝热等条件。这些简单的模型非常适合将经优化的动力学加入化工环境,使您能更好地理解您的系统,并能够模拟各种不同的工作条件。您可以根据从中获得的所有知识来继续优化仪器设备的设计,并通过完整的二维轴对称或三维模型来仔细调整工作条件。‘生成空间依赖性模型’特征可用于将系统的质量平衡、能量平衡与流体流动、化学反应速率完全耦合。

模拟药物洗脱支架中的释放机理

血糖试纸电化学过程建模

热分解

多孔介质反应器

透析现象

氧化氮反应动力学分析

圆喷射燃烧器中的合成气燃烧

生物传感器设计器

砷化镓化学气相沉积

碳沉积

管式反应器中的分解反应

液体色谱法 1