Tricks of the trade : Radial Distribution Function (RDF) With LAMMPS

The Radial Distribution Function (RDF) can be very useful to verify the state of your molecular dynamics (MD) simulation, for example to view the number of nearest neighbors, or simply to confirm your results. Luckily, in LAMMPS, a compute rdf is possible in order to make the software go through your simulated box in order … Continue reading Tricks of the trade : Radial Distribution Function (RDF) With LAMMPS

How to (thermodynamically) model the aluminum electrolysis using FactSage

As a member of the Centre for Research in Computational Thermochemistry (CRCT, Polytechnique Montreal) that develops the FactSage software, it is always a pleasure to share my knowledge on thermochemistry. This post will show you how to simply model the conventional aluminum electrolysis process (i.e. the Hall-Héroult process) using FactSage. Let's start by reviewing the … Continue reading How to (thermodynamically) model the aluminum electrolysis using FactSage

Producing Aluminum without direct CO2 emissions

We learned yesterday that a joint venture between Alcoa, Rio Tinto and Apple was created in order to produce primary aluminum using a zero-CO2-emission process. Here are some simple explanations about the new primary metal production strategy. The conventional smelting strategy to produce aluminum from alumina (Al2O3) is based on the Hall-Héroult electrochemical process: $latex … Continue reading Producing Aluminum without direct CO2 emissions