Equilib Module

Navigating the chemical space: Sustainable metallurgy through materials informatics

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

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

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

Al Cu Phase Diagram

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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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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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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