Chemical

Eyal Spier | April 10, 2014

The last two blog posts in the Chemical Kinetics series were concerned with modeling chemical reactions based on a particular set of parameters. While this is important and of great academic and industrial interest, the relevant parameters were assumed. Now, let’s find out how to estimate the chemical parameters using COMSOL Multiphysics.

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Eyal Spier | March 13, 2014

While the mathematical study of chemical reactions has been performed for more than a century, it is only fairly recently that the computational tools for numeric integration of rate equations have been widely available. The old adage of “necessity is the mother of all invention” holds true in this instance. Here, you will find a classical analysis of a non-trivial reaction system, and learn how the simplified solution compares with the “real” one.

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Mark Fowler | March 3, 2014

Polymer electrolyte membrane or proton exchange membrane (PEM) fuel cells provide a potentially clean and portable source of power. This is of major interest to the transport industry as well as for power generation at fixed sites. COMSOL Multiphysics is a powerful simulation tool you can use to help understand and overcome PEM fuel cell design and construction challenges.

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Ahsan Munir | February 26, 2014

DNA is a complex molecule that contains instructions for life and often referred to as a “digital fingerprint” or code telling a cell what to do. DNA is often the only means for accurate testing and identification of biomolecules, cells, or even an entire person during forensic investigations. The need to be able to test for DNA, as quickly as possible, and even at the site where the sample is taken, is becoming more and more important.

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Eyal Spier | February 13, 2014

Chemical reaction engineering is an interesting modeling challenge. At first glance, describing a reacting system seems to be very manageable. There remain, however, countless complications and pitfalls that make chemical simulations both challenging and rewarding. In this first post of a new blog series, we will introduce chemical kinetics in general and walk you through how you can use COMSOL software in chemical reaction engineering.

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Melanie Noessler | February 10, 2014

When designing electrochemical cells, we consider the three classes of current distribution in the electrolyte and electrodes: primary, secondary, and tertiary. We recently introduced the essential theory of current distribution. Here, we illustrate the different current distributions with a wire electrode example to help you choose between the current distribution interfaces in COMSOL Multiphysics for your electrochemical cell simulation.

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Edmund Dickinson | February 7, 2014

In electrochemical cell design, you need to consider three current distribution classes in the electrolyte and electrodes. These are called primary, secondary, and tertiary, and refer to different approximations that apply depending on the relative significance of solution resistance, finite electrode kinetics, and mass transport. Here, we provide a general introduction to the concept of current distribution and discuss the topic from a theoretical stand-point.

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Fanny Littmarck | November 8, 2013

There were many interesting posters at this year’s COMSOL Conference in Boston. A couple that caught my eye involved microwave heating and chemical applications. One of them showcases the use of microwave irradiation to speed up chemical reactions. Another — one of the recipients of the Best Poster award — used simulations to optimize their microreactor design with respect to microwave propagation.

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Alexandra Foley | August 1, 2013

When thinking about freeze-drying processes, I am reminded of astronaut food like the freeze-dried ice cream I tried as a kid. While this application of freeze-drying is important for preserving food being launched into space, there is also an incredible number of noteworthy applications that are used a little closer to home. Let’s take a look at the freeze-drying process, how it can be simulated, and some of the products and designs that rely on it to function.

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Phil Kinnane | June 12, 2013

My colleague, Edmund Dickinson, recently blogged about cyclic voltammetry, and how this can be modeled. It was a fantastic blog entry, as it really described the application, and how to implement such models in COMSOL Multiphysics. While Edmund has a background in electroanalysis, where cyclic voltammetry, potentiometry, and electrochemical impedance are important tools, I had a different but similar life before COMSOL, working within industrial electrolysis. For both of us, the new Electrochemistry Module would have been the perfect tool […]

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Fanny Littmarck | June 3, 2013

Did your chemistry teacher use an orange or lemon to demonstrate the concept of a battery, back in the day? You might remember how she magically produced electricity by sticking a couple of metal nails into the citrus fruit, as the whole class watched in awe. What if we now used simulation tools to demonstrate how an orange battery works, and then use that as an intro to electrochemistry modeling?

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