GTT Users’ Meeting 2017

Wednesday Afternoon

Klaus Hack, Moritz to BabenGTT-TechnologiesOpening remarks
Risto PajarreVTT Technical Research Centre FinlandAdditional constraints and work terms in Gibbs energy minimisation with ChemApp and ChemSheet

Klaus HackGTT-TechnologiesThermochemical Modelling in the BOFdePhos Project

Sabrine KhadhraouiSMS GroupBOF DePhos part II: Experimental investigation of the kinetics of the converter process and their relevance to multi-zone-models

Van BohemenTata SteelPredicting the Ms temperature of steels with a thermodynamic based model including the effect of the prior austenite grain size

William MaoTU DelftPreferential oxidation in steels

Michael AuingerWarwick UniversityCorrosion of alloys at high temperatures – Synergies between experiment and thermodynamic modelling using ChemApp
Axel KranzmannBAM BerlinComparison of equilibrium calculations and real corrosion scales. Useless or necessary?

Andreas LennartssonLuleå UniversityApplication of FactSage in education within Process Metallurgy at Luleå University of Technology



Klaus HackGTT-TechnologiesThe GTT-Oxides database

Elena YazhenskikhJülich Research CenterDatabase development for the HotVeGas project

Tatjana JantzenGTT-TechnologiesAddition of Titanium oxides to the GTT-Oxides database

Guixuan WuJülich Research CenterModelling Viscosity of Molten Oxides (HotVeGas Part III)

Sören SeeboldJülich Research CenterAbout the Influence of Crystallization onto the Flow Behavior of Oxide Melts
Matthias DohrnJülich Research CenterModelling of coal combustion with SimuSage within the VerSi Project

Johan van DykAfrican Carbon EnergyThermo chemical
simulation of a coal gasification process

Andy WatsonSGTEChallenges in the development of large thermodynamic databases

Georg HuhsCentro Nacional de Supercomputacion, BarcelonaThe NOMAD Encyclopedia: Getting access to millions of calculated materials properties

Moritz to BabenGTT-TechnologiesThermodynamic database development based on ab initio calculations: challenges and opportunities

Keke ChangRWTH AachenPhase stability and elastic properties of metallic solid solution phases by Calphad and ab initio calculations
Sida LiuRWTH AachenThermodynamic description and experimental investigation of nitrides
Michael SchickGTT-TechnologiesThe GTT-Aluminum database

Thiemo BrüggemannHydro AluminiumThrough-process multiscale modelling of Aluminum sheet production
Elisa CapelliDelft University of TechnologyThermochemistry of fuel, fission products and corrosion products in Molten Salt Reactor


Friday Morning

Rainer BackmanUmeå UniversityPredictions of slag formation, flow behaviour, and refractory interactions during pressurised entrained-flow gasification of biomass/peat mixtures

Bruno ReisGTT-TechnologiesGTT-Technologies contributions to the „Energiewende“: The Düsol and PCM projects

Sander ArnoutInsPyroApplications of thermodynamics in rare earth recycling research

Markus ReuterHelmholtz Institute Freiberg for Resource TechnologyDigitalizing the Circular Economy

Rainer Schmid-FetzerTU ClausthalMagnesium alloys and oxygen
Hans SeifertKarlsruhe Institute of TechnologyThermodynamics of Lithium Batteries - The DFG Priority Programme "WeNDeLIB"

Johan ZietsmanEx MenteFriendly analysis, visualisation and modelling with ChemApp and Python
Stephan PetersenGTT-TechnologiesChemApp, SimuSage, ChemSheet: Current developments
Moritz to BabenGTT-TechnologiesFactSage 7.2