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 »
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 »
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
Constructing a Blast Furnace Diagram with FactSage – Part III Read More »
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
Constructing a Blast Furnace Diagram with FactSage – Part II Read More »
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 »
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 »
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
From molar Gibbs energy functions to phase diagrams – Part II Read More »
Sometime ago a customer asked me how to find out if Ca2SiO4 is included in a certain database. Since the answer to this question can be really useful for customers in general, I decided to write this blog on the subject. We will define a substance with a defined chemical composition as a chemical species.
The loss of copper in the converting process through its incorporation to the converter slag represents a major problem in the copper metallurgy. There are two important mechanisms for this phenomenon: the physicochemical and the mechanical one. The mechanical mechanism, i.e. the mechanical entrapment of matte or of metallic copper inside the slag, is by
Minimization of copper losses to the converter slag through a boron oxide addition Read More »
