How to create a private database in FactSage – A recipe

FactSage databases constitute the largest set of evaluated and optimized thermodynamic databases for inorganic systems in the world [1]. However, in case your system of interest is not (fully) covered by commercial databases, the development of own, i.e. private, databases might be required. This blogpost outlines how you can create a private database in FactSage …

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Advanced functionalities of ChemApp for Python: Streams

In this article, some of the features and recent additions to the ChemApp for Python package are introduced and explained. As a brief summary, ChemApp for Python is a Python module that encapsulates the ChemApp thermodynamic calculation library. It does provide different ways to access it. To users that are accustomed to ChemApp from other …

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Constructing a Blast Furnace Diagram with FactSage 8.2

The so-called blast-furnace diagram describes which phases are stable in the different regions of the blast furnace, depending on the conditions of temperature and of the atmosphere inside the furnace[1]. It is basically a phase diagram, where the volume fraction of CO is represented on the X-axis and the temperature is represented on the Y-axis, …

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Li2O and P2O5 in the GTOx thermochemical database

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The GTOx oxide database was developed in-house at GTT-Technologies and in close cooperation with Forschungszentrum Jülich, IEK-2, specially with Elena Yazhenskikh. The thorough literature review  was performed concerning phase diagram information and thermochemical experiments (enthalpies of formation and transformation, component activities, oxygen partial pressures etc.). GTOx includes a description for different combinations of oxides, e.g. …

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Calphad Optimizer online training course

From November 16th to November 17th 2022 we will host the first two-day online training course for the Calphad Optimizer. On each day, the course will take half a day, from 1 pm to 5 pm Central European Time (CET). The Calphad Optimizer is our new tool to facilitate the development of thermodynamic databases based on the …

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GTT at the International Freiberg Conference 2022

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From September 19th to 21th 2022 the International Freiberg Conference on waste gasification (https://freiberg.gasification-freiberg.com/) will take place and we are excited to be there! Waste gasification is an important topic for us at GTT, because it contributes to the rational and efficient usage of natural resources.  GTT will be represented by two talks:  Talk 1: …

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Calphad Optimizer

The latest FactSage release, FactSage 8.2, comprises a completely new tool to facilitate the development of thermodynamic databases based on the Calphad methodology – the Calphad Optimizer (Figure 1). Figure 1: The new Calphad Optimizer in FactSage 8.2. The goal of database development is to derive a set of self-consistent thermochemical parameters that allow the …

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