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Points forts de COMSOL Multiphysics® 6.3

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Chemical Reaction Engineering Module Updates

For users of the Chemical Reaction Engineering Module, COMSOL Multiphysics® 6.3 introduces precipitation and crystallization modeling with a population balance approach, automated setup for space-dependent turbulent reacting flow models, and new results templates for efficient visualization of multicomponent mass transport. Learn more about these updates below.

Precipitation and Crystallization with Population Balance

The new functionality for modeling precipitation and crystallization processes enables studies of separation processes in areas such as the fine chemicals, bulk chemicals, and pharmaceutical industries. In space-dependent geometries, the Precipitation and Crystallization in Fluid Flow interface combines the new Size-Based Population Balance interface with Transport of Diluted Species and Laminar Flow interfaces. It calculates the population distribution in time and space — that is, it solves for the number density of all particle sizes — by accounting for particle nucleation, particle growth, and fluid transport. The Precipitation and Crystallization in Fluid Flow interface can also be used to compute the particle distribution in an ideal reactor model. The Precipitation of Barium Sulfate tutorial model demonstrates this new functionality.

The COMSOL Multiphysics UI showing the Model Builder with the Size-Based Population Balance node highlighted, the corresponding Settings window, and T-mixer models in the Graphics window.
The Settings window for the Size-Based Population Balance interface, showing the settings for modeling transport-controlled growth in a process for barium sulfate precipitation in 3D.

Generate Space-Dependent Models for Turbulent Reacting Flow

Setting up space-dependent turbulent reacting flow models is now easier, supporting studies in environmental sciences and various industries, including the chemical, pharmaceutical, and food & beverage industries. The Generate Space-Dependent Model feature automatically formulates isothermal and nonisothermal turbulent flow models directly from chemical reactions, eliminating the need for manual turbulence setup. It couples Reynolds-averaged Navier–Stokes (RANS) turbulence models with the Chemical Species Transport interface (and, for nonisothermal flow, with the Heat Transfer in Fluids interface as well) and uses the Kays–Crawford model by default for mass and heat transport.

The COMSOL Multiphysics UI showing the Model Builder with the Generate Space-Dependent Model node highlighted, the corresponding Settings window, and a multijet model in the Graphics window.
The Settings window for the Generate Space-Dependent Model feature, showing the settings for generating a 3D model of nonisothermal reacting flow in a multijet polymerization reactor.

Result Templates in the Chemical Species Transport Interfaces

Creating useful and visually appealing plots of reacting systems can be time consuming since there are often many reactants and thus many concentration fields to plot. To save time, there are a number of new Result Templates in the Chemical Species Transport interfaces. Among these, plot array templates are now available that include up to four species concentrations simultaneously in the Graphics window. The Result Templates are available for all Chemical Species Transport interfaces, independent of the add-on product, but are especially useful for the multicomponent transport interfaces included in the modules for chemical engineering as well as in the CFD Module, Porous Media Flow Module, Subsurface Flow Module, and Microfluidics Module.

The COMSOL Multiphysics UI showing the Model Builder with a Surface node highlighted, the corresponding Settings window, plate reactor models in the Graphics window, and the Result Templates window.
The Result Templates window and a plot array of all of the concentration fields modeled in the Fine Chemical Production in a Plate Reactor tutorial model.

New and Updated Tutorial Models

COMSOL Multiphysics® version 6.3 brings several new and updated tutorial models to the Chemical Reaction Engineering Module.

NOx and Ammonia Conversion in a Dual-Bed Monolithic Reactor

A monolith reactor model showing the inner temperature distribution and concentrations of Nox and ammonia.
Temperature and concentrations of nitrogen oxides and ammonia in a monolithic converter for NOx removal from diesel engine exhausts.
Application Library Title:
monolith_reactor
Download from the Application Gallery

Boat Reactor for Low-Pressure Chemical Vapor Deposition

A boat reactor model showing the concentration.
Concentration of silane in a boat reactor for chemical vapor deposition of silicon on a wafer bundle.
Application Library Title:
boat_reactor
Download from the Application Gallery

Precipitation of Barium Sulfate

Four T-mixer models showing the number density.
Number density of crystal particles of different sizes in T-shaped mixers modeled in 3D.
Application Library Title:
barium_sulfate_precipitation
Download from the Application Gallery

Liquid–Liquid Extraction

Three water-filled extraction columns showing the continuous phase velocity, dispersed phase velocity, and dispersed phase volume fraction.
Continuous phase velocity, dispersed phase velocity, and dispersed phase volume fraction in a liquid–liquid extraction column.
Application Library Title:
liquid_liquid_extraction
Download from the Application Gallery