Exploring Advanced Thermodynamic Process Simulation Tools: From SimuSage to Coupled CFD + Thermochemistry based Models with COMSOL+M4Dlib+ChemApp

Saturday, August 25, through Sunday, August 26
Westin Ottawa
MetSoc and TMS
Tanai Marin-Alvarado, m4Dynamics; Pertti Koukkari, VTT; and Denis Shishin, University of Queensland

Extraction 2018 is over and registration is no longer available for these courses.

Course Overview

Without a doubt, thermochemical simulation using rigorous equilibrium thermodynamics approach has helped enormously in advancing our understanding of the various complex systems that dominate our industry, such as liquid metal/mattes, slags, solid solutions, etc. Well established software packages such as FactSage in combination with the right set of thermodynamic databases can help us calculate and predict the outcome of a process in just a matter of minutes. This concept can be taken a step forward and be used to simulate a more complex scenario in which either the entire reactor cannot be assumed to be entirely in equilibrium, or in which an entire flowsheet needs to be modelled.

In this two-day course, instructors will demonstrate and introduce the fundamentals of Thermodynamic-Based Process Simulation, including the use of FactSageTM, ChemSheetTM (Microsoft Excel® Thermodynamic Library), how to build a high-level SimuSage process simulation application. We will finalize by introducing and demonstrating how to combine CFD modeling and thermodynamics using M4Dlib and M4D-CCI. The course will include a hands-on session in which the attendees will be able to apply the concepts learned and will build SimuSage applications or COMSOL+M4Dlib models during the class.

Although not required, this course is intended for metallurgical engineers with some knowledge on thermochemistry modelling or with previous experience using FactSage. This course is recommended for those who need to carry out high level heat and mass balances of metallurgical processes or for those who are involved in the design of process changes or new treatment processes.

The goal of this course is for attendees to be exposed to state of the art tools for metallurgical process modelling with a strong focus on applied thermochemistry. These will provide new possibilities for the participant to be able to develop process simulation applications that are more predictive and robust.

Course Outline

Day 1 - Saturday, August 25

Start End Presenter Content
8:30 9:00 - Set up/install software prior to course start
9:00 10:30 T.M. Module 1: Introduction to Thermodynamics-Based Process Simulation
9:00 10:30 D.Sh. Module 2: FactSage™ Introduction
10:30 10:45 - Coffee Break
10:45 12:15 - Module 3: FactSage™ Equilib Module
12:15 13:15 - Lunch (provided)
13:15 14:15 T.M Module 4: Creating Thermodynamic Imput Files and Streams Definitions Files
14:15 14:30 - Coffee Break
14:30 16:00 P.K. Module 5: ChemSheet™ - Advanced Thermochemical Library for Excel®
16:00 17:00 - Spare time to finish off Chemsheet module and to install software for day 2, SimuSage, COMSOL, M4Dlib,M4D-CCI

Day 2 - Sunday, August 26

Start End Presenter Content
8:30 10:00 T.M Module 1: Simusage™: Building Powerful Stand-Alone Thermodynamic-Based Process Simulation Applications
10:00 10:15 - Coffee Break
10:15 12:00 T.M Module 2: Hand-on Session - Building a Copper Smelting and Converting App. Using SimuSage™
12:00 12:45 - Lunch (provided)
12:45 14:00 T.M Module 3: Introduction to Multiphysics and Thermodynamics Modeling Using COMSOL®, M4Dlib™ and M4D-CCI™
14:00 14:15 - Coffee Break
14:15 15:00 T.M Module 4: Hand-on Session - Modeling Coupled Convective Flow with Solidification Inside a Vessel.

Attendees will be provided onsite with USB drives containing trial versions of the tools demonstrated during the course. They will be able to try the concepts discussed and apply them to solve problems in their own working environments.

In order to take full advantage of the software, participants will need to bring their own laptop computer that utilizes Windows operating system 64 bit or higher. Computers should also be enables with Microsoft Excel 32-bit or higher in order to use the ChemSheet software. Mac and Linux systems are not supported.

Electrical power strips will be provided but international attendees are encouraged to bring a power adapter to plug into 110V power.

Course Instructors

Tanai Marin-Alvarado is a mining and metallurgical engineer from the University of Chile where he obtained his master in science in extractive metallurgy in 2001. In 2006, Marin-Alvarado obtained his Ph.D. in material science and engineering from the University of Toronto. Marin-Alvarado has more than 15 years of experience working in industrial research projects with smelters from Chile, Canada, and Germany. Since 2008, he has worked at Vale Canada Ltd., becoming senior research metallurgist. During all this years, he has accumulated great experience developing thermochemical and multiphysics simulation applications using FactSage, SimuSage, and COMSOL Multiphysics on the field of mining and extractive metallurgy, which resulted in the creation of M4Dynamics in 2015, a consulting and software developing company based in Toronto, quickly becoming a COMSOL certified consultant.
Pertti Koukkari holds a doctor of science in physical chemistry from TKK (today Aalto University). He has worked as a university scholar (TKK, 1978–1984), process development specialist in chemical industry (Kemira Oy of Finland and Kemira Inc. USA, 1985–1995) and as a leader of research group at VTT (1995 to present). Currently Koukkari is research professor of process chemistry at VTT, leading both national and international R&D projects. His specialty is multiphase chemical thermodynamics and its applications in process and materials science. His work within industry and research has resulted in several energy and material saving solutions in various fields of process technology. He is the inventor of the internationally awarded constrained Gibbs free energy method and also co-author of five process simulation software products including the widespread ChemSheet and KilnSimu programs.
Denis Shishin is currently a research fellow at the University of Queensland, Australia. He obtained his master of science in chemical thermodynamics at the Moscow State University in 2009. During his Ph.D. studies in metallurgical engineering he moved to Canada, where he worked on the thermodynamic database for pyrometallurgical copper production in CRCT, École Polytechnique of Montréal, the birthplace of FactSage software. After graduation in 2013, he was invited to continue the work in the field of non-ferrous metallurgy in the Pyrosearch Innovation Center (Pyrosearch), University of Queensland, Australia. Pyrosearch is well known for the integrated approach to experimental studies, thermodynamic modelling, process simulation and plant data analysis. Shishin’s role is to conduct the modelling work and coordinate it with experiments. Even though Pyrosearch is located at the University, the main research funding comes from the consortium of private companies, such as Umicore, Aurubis, Kazzinc (Glencore), Nyrstar, and RHI.


Course Registration Rates *

Registering As Advanced
Before June 26
On or After June 26
Attendee $1,195 $1.295
Student $495 $545

*Please note that registration rates do not include 13% tax.

Sponsorship Acknowledgements

This course is made possible thanks to The Metallurgy and Materials Society (MetSoc) of the Canadian Institute of Mining, Metallurgy and Petroleum (CIM) and The Minerals, Metals & Materials Society (TMS).