Equilib Module Archives - GTT-Technologies

Navigating the chemical space: Sustainable metallurgy through materials informatics

March 7, 2024 / Alloy and Material Design, ChemApp, ChemAppPy, Equilib Module, Process Metallurgy, Process Metallurgy, Uncategorized / Friederike Herrig

How can we accelerate the transformation of the iron and steel industry using materials informatics? Computational thermochemistry is fundamental for the transition to sustainable metallurgy. You need to understand thermodynamics to create process models – or to discover new alloy compositions for advanced engineering applications. We face challenges such as the decarbonization of steel metallurgy […]

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Constructing a Blast Furnace Diagram with FactSage – Part IV

January 19, 2024 / Equilib Module, Phase Diagram Module, Process Metallurgy / João Rezende

In order to reduce the CO2 emissions caused by the iron & steel industry, there have been initiatives in the last decades to substitute reductants based on carbon by the use of H2 as a reducing agent. These initiatives go from the direct injection of H2 at the tuyeres of the blast furnace [1, 2]

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A Comprehensive Guide: Setting up ChemApp for Python and Converting FactSage Equilibrium Files using Equi2Py

November 8, 2023 / ChemApp, ChemApp for Python in FactSage, Equilib Module, Process Metallurgy / Ömer Büyükuslu

Welcome to our step-by-step guide on setting up ChemApp for Python and converting equilibrium files into Python-compatible formats! In this blog post, we’ll walk you through the process by our video tutorial, ensuring you have all the information you need to get started with ChemApp for Python and make the most out of it. Setup

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From molar Gibbs energy functions to phase diagrams – Part II

January 16, 2021 / Equilib Module, FactSage, FTlite / João Rezende

In this blog post we will see how to interpret the phase activity of a phase which does not form in equilibrium for a given temperature and pressure. For this, we will consider an Al-Cu alloy containing 0.01 mol% Cu at a temperature of 500°C and at a pressure of 1 atm and we will

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Automated input and output in FactSage – Part II

April 18, 2019 / Equilib Module, FactSage / João Rezende

In the 2nd part of this blog post, we will see how to export the data we generated in the Part I to Excel. Let us start with the Results window from the last blog. On the menu bar, we click on “Output”->”Save or Print”->”Save or Print As” Figure 1 A window will pop up,

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Automated input and output in FactSage – Part I

March 15, 2019 / Equilib Module, FactSage / João Rezende

Tabular input for automated calculation with FactSage.

A customer has asked me: “Is it possible to export/import data to and from FactSage? For instance, I would like to do a series of calculations for different initial chemical compositions of the system and it would be very useful to import all the compositions automatically from an Excel table into FactSage”. Yes, it is

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From molar Gibbs energy functions to phase diagrams

January 29, 2019 / Equilib Module, FactSage, FTlite, Phase Diagram Module / João Rezende

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

January 18, 2019 / Equilib Module, FactSage, General / João Rezende

Inserting extra points on diagrams - with legends

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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A hands-on example for an equilibrium-module calculation

November 29, 2018 / Equilib Module / João Rezende

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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Casting Case Study: Refractory-melt interactions

October 31, 2018 / Alloy and Material Design, Data, Equilib Module, FactSage, Process Metallurgy / João Rezende

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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