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 …
How to create a private database in FactSage – A recipe Read More »
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 …
Advanced functionalities of ChemApp for Python: Streams Read More »
From March 20th to March 23rd 2023 we will host a four-day online course on Computational Thermochemistry and the FactSage software. On each day, the course will take half a day, from 1 pm to 5 pm Central European Time (CET). To participants who don’t already have FactSage installed on their PCs we will make …
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, …
Constructing a Blast Furnace Diagram with FactSage 8.2 Read More »
If you want to learn how to develop your own thermodynamic databases or to improve on an existent open thermodynamic database, this is a good opportunity for you! From January 25th to January 27th 2023 we will host the next three-day online training course for the Calphad Optimizer. On each day, the course will take …
From January 9th to January 12th 2023 we will host a four-day online course on Computational Thermochemistry and the FactSage software. On each day, the course will take half a day, from 1 pm to 5 pm Central European Time (CET). To participants who don’t already have FactSage installed on their PCs we will make …
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. …
Li2O and P2O5 in the GTOx thermochemical database Read More »
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 …
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: …
GTT at the International Freiberg Conference 2022 Read More »
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 …