2024

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

Navigating the chemical space: Sustainable metallurgy through materials informatics Read More »

ChemApp for Python – Speeding up Calculations by Parallel Processing

If you are performing computationally intense calculations, we recommend using ChemApp compared to Equilib, especially when iterating over a lot of conditions. Due to the single threaded nature of ChemApp, each run of ChemApp only employs a single CPU core. Most, if not all current computer systems have multiple CPU that should be employed if

ChemApp for Python – Speeding up Calculations by Parallel Processing Read More »

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]

Constructing a Blast Furnace Diagram with FactSage – Part IV Read More »