Ex Mente Technologies and GTT-Technologies announce the first commercial release of ChemAppPy

Icon for ChemAppPy

Ex Mente Technologies and GTT-Technologies are excited to announce the first commercial release of ChemAppPy! ChemAppPy is a Python package that makes ChemApp, the thermochemistry library developed by GTT-Technologies, available in Python 3.6+. It includes additional tools that make thermochemical calculations easier and quicker to do. GTT are the original developers of ChemApp, a powerful …

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From molar Gibbs energy functions to phase diagrams – Part I

In a series of posts, we will focus on the relation between phase diagrams, Gibbs energy functions and activities. Let us begin with the Al-Cu phase diagram at a temperature of 500 °C. In this blog post we will work exclusively with the FactSage Education Package. Let us suppose we have generated an Al-Cu phase-diagram …

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Including extra data points in FactSage figures

A customer has asked me: “How can I include an experimental point on a figure generated in FactSage ?”. The procedure is relatively simple. Suppose that you have generated a curve in FactSage like the one below. Representing the Molar Gibbs Energy of the γ phase in the Fe-C system at 1000°C as a function …

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What is the difference between Fact Pure Substances and SGPS databases?

I have been asked by a potential customer: “Do I need the Fact Pure Substances or SGTE Pure Substances database?” The answer is: It depends. The two databases are both collections of (normally published) thermochemical data. The Fact Pure Substances database FactPS is maintained by our co-developer of FactSage, Thermfact/CRCT, Polytechnique Montreal. It is generally …

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Example for a FactSage calculation of a non-equilibrium process

It is a common misconception that thermodynamic calculations can only be used for processes that are in equilibrium. In fact, there is a lot to learn from an Integrated Thermodynamic Databank System like FactSage even if you are far away from equilibrium! As example we consider the popular Fe-C system: If you choose all phases …

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A hands-on example for a phase-diagram-module calculation

FactSage contains many modules. The major ones for daily work are Equilib and Phase Diagram. Phase Diagram permits the calculation of phase diagram sections for systems with any number of components. Components can be elements, compounds or even arbitrary compositions. For a phase diagram calculation, first the components of interest have to be defined. Then, the possible …

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A hands-on example for an equilibrium-module calculation

FactSage contains many modules. The major ones for daily work are Equilib and Phase Diagram. In the Equilib module, global Gibbs energy minimization is used to determine the equilibrium state of a complex chemical system defined by its chemical composition, temperature and pressure. Equilib is easy to use: First, the chemical system has to be defined …

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Applications of FactSage in the Energy Research

In the scope of a preparation work for a project proposal, a literature research was conducted on the applications of FactSage in the areas of combustion and gasification of fossil and renewable carbon-containing raw materials. The research included not only the important coal- and biomass-based fuels, but also all kinds of carbon-containing industrial and domestic …

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Casting Case Study: Refractory-melt interactions

Casting with bottom teeming

In the scope of the collaborative research center SFB 761, von Schweinichen(*) experimentally investigated the chemical interactions between a high manganese steel melt and different refractory materials employed in assembling an adequate casting system. Normally, when casting in an open atmosphere, one expects worse results considering cleanliness for a top pouring process (Figure 1) than …

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GTT at ASK 2018

The 32nd “Aachener Stahlkolloquium“ (Aachen Steel Colloquium) has just started. This year’s topic is “Metallurgy in Transition 4.0” and the topics include digitalization, biofuels and hydrogen, big data and casting. It is clear that these aim at society’s needs for sustainability and low CO2-emissions while making sure that steel can still be produced in high-wage …

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