About department

Field of Scientific Interest

The main scientific interest of the Department of Molten Systems is the research of physico-chemical properties of molten salts using the experimental and theoretical tools. The phase equilibria, density, electric conductivity, viscosity and surface tension are under study together with the development of semi-empirical models to better understand the relations between the composition, the properties and the structure of inorganic melts. Fluoride systems based on zirconium, tantalum, niobium, titanium and aluminium belong to the current objects of our research. Applied research of the Department is related to optimization of conditions for electrochemical aluminium production. Investigation of industrial applications of molten salts comprises metallurgical applications, accumulation of solar energy, transport of heat, molten salts as cooling media-investigation of corrosion in interaction of construction materials (alloys, special alloys, ceramics) with melts. The research is supported by application of spectral, thermal and diffraction techniques (NMR, XPS, SIMS, IR, DSC/DTA, X-ray and neutron powder diffraction and single crystal analysis).

 

  • Head of department: doc. Ing. Miroslav Boča, DrSc.

Selected Publications

BUČKO, Tomáš – ŠIMKO, František. Effect of alkaline metal cations on the ionic structure of cryolite melts: Ab-initio NpT MD study. In Journal of Chemical Physics, 2018, vol. 148, no. 6, p. 064501-1-064501-x.

GRISHINA, Svetlana – KODĚRA, Peter – URIARTE, Lucas M. – DUBESSY, Jean – ORESHONKOV, Aleksandr – GORYAINOV, Sergey – ŠIMKO, František – YAKOVLEV, Igor – ROGINSKII, Evgenii M. Identification of anhydrous CaCl2 and KCaCl3 in natural inclusions by Raman spectroscopy. In Chemical Geology, 2018, vol. 493, p. 532-543.

KONTRÍK, Martin – ŠIMKO, František – GALUSKOVÁ, Dagmar – NOSKO, Martin – BIZOVSKÁ, Valéria – HIČÁK, Michal – GALUSEK, Dušan – RAKHMATULLIN, Aydar – KORENKO, Michal. A corrosion mechanism of titanium diboride in KF-AlF3-Al2O3 melt. In Journal of the European Ceramic Society, 2018, vol. 38, no., p. 1143-1151.

KUBÍKOVÁ, BlankaMLYNÁRIKOVÁ, JarmilaBOČA, Miroslav – SHI, Zhongning – GAO, Bingliang – PATEL, Niketan Sarabhai. Temperatures of primary crystallization and density of the KF + AlF3 + LiF + Al2O3 molten system. In Journal of Chemical and Engineering Data, 2018, vol. 63, p. 3047-3052.

KUBÍKOVÁ, BlankaMLYNÁRIKOVÁ, Jarmila – BENEŠ, Ondřej – MIKŠÍKOVÁ, EvaPRIŠČÁK, Jozef – TOSOLIN, Alberto – BOČA, Miroslav. Physico-chemical properties of the system (LiF-NaF)eut-LaF3 – Phase equilibria, density and volume properties, electrical conductivity and surface tension. In Journal of Molecular Liquids, 2018, vol. 268, p. 754-761.

RAKHMATULLIN, Aydar – BOČA, Miroslav – MLYNÁRIKOVÁ, Jarmila – HADZIMOVÁ, Eva – VASKOVÁ, Zuzana – POLOVOV, Ilya B. – MIČUŠÍK, Matej. Solid state NMR and XPS of ternary fluorido-zirconates of various coordination modes. In Journal of Fluorine Chemistry, 2018, vol. 208, p. 24-35.

RAKHMATULLIN, Aydar – POLOVOV, Ilya B. – MALTSEV, Dmitry – ALLIX, Mathieu – VOLKOVICH, Vladimir – CHUKIN, Andrey V. – BOČA, Miroslav – BESSADA, Catherine. Combined approach for the structural characterization of alkali fluoroscandates: Solid-state NMR, powder X-ray diffraction, and density functional theory calculations. In Inorganic Chemistry, 2018, vol. 57, no. 3, p. 1184-1195.

SHEN, Lingling – ZHAO, Bo – LIU, Aimin – SHI, Zhongning – HU, Xianwei – BOČA, Miroslav. Preparation of fine copper powder by plasma discharge electrolysis process. In Journal of the Electrochemical Society, 2018, vol. 165, no. 11, p. e527-e533.

ŠIMKO, František – RAKHMATULLIN, Aydar – VERON, Emmanuel – ALLIX, Mathieu – FLORIAN, Pierre – KONTRÍK, MartinNETRIOVÁ, ZuzanaKORENKO, Michal – KAVEČANSKÝ, Viktor – BESSADA, Catherine. Oxo- and oxofluoroaluminates in the RbF-Al2O3 system: Synthesis and structural characterization. In Inorganic Chemistry, 2018, vol. 57, no. 21, p. 13702-13712.

ŠIMURDA, Michal – BOČA, Miroslav – ŠVEC, Peter – ŠVEC, Peter Jr. – JANIČKOVIČ, Dušan – SHI, Zhongning – MLYNÁRIKOVÁ, Jarmila. Analysis of the extremely rapidly cooled molten system (LiF-CaF2)eut-LaF3. In New Journal of Chemistry, 2018, vol.42, p. 4612-4623.

 

International and National Projects

BENECOM – The behaviour of new progressive construction materials in aggressive environment of molten salts
(Vlastnosti nových progresívnych konštrukčných materiálov v agresívnom prostredí roztavených solí)
Programme: APVV-15-0738
Project coordinator IIC: Ing. F. Šimko, PhD.
Partner: Institute of Physics SAS
Duration: 07/2016 – 06/2020
FLUMECE – Fluoride melts of critical elements for unconventional applications
(Fluoridové taveniny kritických prvkov pre nekonvenčné aplikácie)
Programme: APVV-15-0479
Project coordinator IIC: doc. Ing. M. Boča, DrSc.
Duration: 07/2016 – 06/2020
Molten fluoride systems with higher functionality
(Roztavené fluoridové systémy s vyššou funkcionalitou)
Programme: VEGA 2/0114/16
Project coordinator IIC: doc. Ing. M. Boča, DrSc.
Duration: 01/2016 – 12/2019
New technology in Aluminium production – Physicochemical and electrochemical investigation of promising potassium cryolite molten systems
(Nové technológie pri výrobe hliníka – Fyzikálno-chemické a elektrochemické skúmanie sľubných draselných kryolitových sústav)
Programme: SK-CN-2015-0014, NewTechAl
Project coordinator IIC: Ing. B. Kubíková, PhD.
Partner: Northeastern University, Shenyang, China
Duration: 01/2016 – 12/2017
HITEMPCORR – High-temperature properties of materials corrosion in molten salts
( Vlastnosti materiálov po vysokoteplotných koróziách v roztopených soliach)
Programme: SASPRO 1119/02/02 mobility scheme “Incoming”
Project coordinator IIC: doc. Ing. M. Boča, DrSc.
Duration: 11/2015 – 11/2018
Low melting electrolytes and wetted cathodes with potential for electrolytic aluminium production
(Elektrolyty s nízkou teplotou topenia a zmáčané katódy s potenciálom pre zlepšenie procesu výroby hliníka)
Programme: VEGA 2/0116/14
Project coordinator IIC: Ing. F. Šimko, PhD.
Duration: 01/2014 – 12/2017

 

 

 

 

 

Foreign Cooperating Institutions

  • Kola Science Centre RAS, Apatity, Russia
  • Ecole Polytechnique IUSTI-CNRS, Marseille, France
  • CEMHTI-CNRS, Orleans, France
  • Nuclear Research Institute, Řez, Czech Republic
  • College of Engineering, Valparaiso University, USA