FactSage

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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FactSage 8.3 release

We are thrilled to announce the release of our latest FactSage update, version 8.3! Whether you’re a long-time user or just getting started, this update is designed to elevate your experience and open new doors of possibilities. Let us take a closer look at the exciting features and improvements this update brings, here are the

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Constructing a Blast Furnace Diagram with FactSage – Part III

In the 3rd blog post of this series related to the Blast Furnace Diagram, we at first consider the effect of including the metallic phases as solution phases instead of considering them as pure compounds, like we already did for the oxides. Then, we show how the total pressure will affect the diagram, in special

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Constructing a Blast Furnace Diagram with FactSage – Part II

In the second blog post of this series related to the Blast Furnace Diagram, we explore some variations of the diagram constructed in the first blog post, while sticking to carbon as the only reducing agent in the system. This blog post was written in collaboration with Klaus Hack. The first diagram that we will

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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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