Modeling Adsorption at Surfaces in COMSOL Multiphysics®

Edmund Dickinson January 26, 2018

Previously on the blog, we discussed why surfaces are sites of special chemical interest and discussed the theories used to describe reactions at surfaces, including when those surfaces are described within homogenized models of porous media. In this blog post, we’ll discuss how chemicals behave when they become attached to a surface by adsorption. Adsorption plays an essential role in many catalytic and sensing processes, so let’s consider how it can be built into your chemical models.

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Caty Fairclough January 5, 2018

Steam reformers are commonly used for power and energy generation processes. To accurately analyze the performance of a steam reformer design, you need to be able to couple mass, energy, and flow equations. Using the COMSOL Multiphysics® software, you can set up a model of a steam reformer that represents its real-world behavior and operating conditions.

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Ed Fontes December 26, 2017

You can easily describe composition- and temperature-dependent fluid properties using the thermodynamic properties database, available as of version 5.3a of the COMSOL Multiphysics® software. For reacting systems, the database computes enthalpy of formation and enthalpy of reaction. For fluid flow and heat and mass transfer, the database can compute viscosity, density, heat capacity, thermal conductivity, and diffusivity of liquids and gases. For systems with several phases, the thermodynamic properties database computes the composition of the phases at equilibrium.

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Rasmus Karlsson November 27, 2017

Wet chemical etching is used to form patterns on surfaces, with applications including the production of integrated circuits, MEMS devices, and pressure sensors. This process has been around for hundreds of years, and was a favorite method of Old Master Rembrandt van Rijn. The optimization of chemical etching was historically a matter of trial and error, but in this blog post, we’ll show how to model the process in the COMSOL Multiphysics® software.

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Edmund Dickinson October 10, 2017

In a previous blog post, we discussed why surfaces are special in chemical reactors. In this blog post, we’ll see how surface area is maximized in reactor structures such as pellet beds, and how we can simply and accurately simulate fixed-bed reactors in spite of their local geometric complexity and the importance of microscopic diffusion.

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Caty Fairclough August 16, 2017

Research shows that microgravity exposure has an effect on the human body, such as by suppressing immune cell activity. This phenomenon also affects cancer cell migration. Making use of this fact can lead to the identification of new therapeutic targets for metastatic cancer cells. In this blog post, we’ll discuss how a research team used the COMSOL Multiphysics® software to design a culturing system to study cancer cell migration in microgravity.

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Caty Fairclough August 15, 2017

Zone electrophoresis separates different species in a sample into distinct well-resolved peaks, giving scientists the ability to analyze substances like proteins and nucleic acids. Improving this electrophoretic separation technique requires us to accurately model the transport and separation of these species. Here, let’s look at how the COMSOL Multiphysics® software can be used to simulate the movement of species during zone electrophoresis.

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Edmund Dickinson July 13, 2017

In biophysics, electrochemistry, and the design of catalytic reactors, researchers and engineers exploit the special chemical and physical properties of solid surfaces involving both gas-solid and liquid-solid interfaces. This blog post discusses the basics of the kinetics of surface reactions at simple surfaces and how they can be modeled with the COMSOL Multiphysics® software. In a subsequent blog post, we will look at how mass transport and reaction kinetics at surfaces are described for homogenized porous media.

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Claire Bost June 14, 2017

When ambient air flows through porous media, it carries moisture. In this process, temperature and moisture are coupled: The vapor saturates depending on the temperature conditions, while latent heat effects due to evaporation and condensation modify the temperature. We discussed heat and moisture transport in air in a previous blog post. Let’s address the specific transport processes we need to consider in pores and how to model heat and moisture transport in porous media with the COMSOL Multiphysics® software.

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Bridget Cunningham April 26, 2017

Sometimes when you bake a cake, it doesn’t turn out how you expected. Part of this is due to the underlying heat and mass transfer phenomena that occur within the baking process, which affect the end result. With tools like the COMSOL Multiphysics® software, you can study and predict how these mechanisms work and use this knowledge to bake a better cake.

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Bridget Cunningham January 13, 2017

For automotive designers, developing effective evaporative emission control systems in vehicles is an important task. Without these systems, volatile hydrocarbons can escape from a vehicle’s fuel tank, producing air pollution and smog. The COMSOL Multiphysics® software provides the features and functionality needed to model these systems in order to understand their operations and improve their performance. Here’s a look at one research team’s analysis of an evaporative emission control system for bioethanol-blend fuels.

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