15 / 56
Library functions.
ThermoML, a software developed
using extensible mark-up language (XML), was identi-
fied as the most appropriate tool for preserving exper-
imentally verified data. ThermoML is adopted as IUPAC
Standard for Storage and Exchange of Experimental
Thermophysical and Thermochemical Property Data.
ThermoML is designed to store and transport data in
both machine and human readable format. If this tool
answers the needs expressed by SFI members remains
to be verified by user acceptance.
Methodology coupling of
modelling tools.
Silicon re-
fining was used to demon-
strate coupling between
detailed computational fluid
dynamic (CFD) modelling
and pragmatic modelling in
spreadsheet and MatLab.
Key elements in the model
require heavy computational
power and takes a long time
to calculate. Such key ele-
ments may be the surface of bubbles and droplets, which
are extracted over short time intervals by computational
fluid dynamics (CFD), before being applied in computing
the complete refining cycle with moderate use of calcu-
lation time The work will be presented in the CFD 2017
(12th International Conference on Computational Fluid
Dynamics in the Oil & Gas, Metallurgical and Process
Industries) in Trondheim May 30 to June 1.
Modelling the SiMn reduction processes.
As a part of
RD2, postdoc Sebastien Letout is working on model
expressions to enhance the understanding of kinetic
processes within the SiMn pilot scale furnace. In the
current approach, OpenFOAM (Open Field Operator And
Manipulation), a free and open code, is used as an alter-
native to expensive commercial software for computa-
tional fluid dynamics. Modelling the smelting operations
are complex and not straightforward, as most of the local
kinetics in the furnace can not be observed in situ, and
results from excavations after cooling the furnace may
be ambiguous. Written documentation of similar pro-
cesses and observations, and species analyses after ex-
cavations, are used to develop numerical simulations to
test the hypothesis formulated on the internal behaviour
of the furnace. A first stage is to understand phenomena
taking place inside the coke bed, in the dripping zone
where the slag flows around the carbon particles before
accumulating at the bottom of the furnace. A paper will
be presented at the CFD 2017 conference in Trondheim.
Road map.
The road map process for RD1 finished in
2016. The main objectives for RD1 are slightly modified
based on the discussions:
• Data Curation (libraries) - Verify systems suitable
for collecting existing and new data in easily
accessible and user-friendly libraries while still
maintaining the need for proper and trackable
verification of data and data uncertainties.
• Modelling - Establish methodology to verify
generic modelling frameworks for coupled
scientific computing, using readily available
software tools with sufficient flexibility to
establish a platform for innovations in the
industry.
Many options for RD1 involvement with the other
Research Domains are reported in the Road map
document.
Europeanmaterialsmodelling council (EMMC).
Teknova
is following up on this network. In the long run, this may
be an gateway to participation in European projects.
Modelling alumina dissolution.
A workshop was ar-
ranged in December 2016 to initiate activities related to
alumina feeding and dissolution in aluminium electrol-
ysis bath, starting in 2017. There will be two PhD can-
didates on modelling, one at the University of Oxford in
cooperation with Teknova and one at NTNU. One associ-
ated PhD will focus on electrochemical activities related
to alumina concentration in the bath.
Fundamentals and Modelling Tools (RD1)
by Senior Research Scientist Arne Petter Ratvik
15
Highlights of 2016 from the Research Domains