Profile and Expertise
- Metallurgy, materials chemistry: Production of metals, alloys, ceramics, glass
- Inorganic chemistry, production of special chemicals
- Energy conversion technologies: Combustion, gasification, synthesis gas production, thermal energy recovery
- Thermal waste treatment
- Reactions in heat recovery systems
- Waste gas cleaning
- High temperature corrosion of metal alloys
Services, Investigation of mass and energy transformation in industrial plants
Process engineering
Investigations and calculations for the optimal design and operation of processes for material production and energy conversion.Calculations
Determination of quantity and composition of material flows during reactions in industrial plants. Recording of possible product qualities as a function of input material qualities and process conditions.Process optimization
Calculations for the optimization of material input and energy use in high temperature processes; improvement of product quality and process economy.Analysis of interferences in industrial plants
Analysis of processes and practices to detect and eliminate the disturbances in reactors and plants. Exploration of reasons for material deposition in off-gas cleaning systems.Materials chemistry, corrosion
Investigations on the corrosion of metallic and ceramic materials in contact with gases, molten metals, slags, glass melts and aqueous solutions.Energy conversion
Combustion and gasification of fossil fuels. Thermal processing of residues and waste materialsThermodynamics
Provision of thermochemical substance databases and software systems for general and special applications in industry and research.Areas of Activity
Metallurgy and materials engineering
Iron and steel makingNF-metallurgy
Electrometallurgy
Materials chemistry and corrosion phenomena
Corrosion in petrochemical plants and synthesis gas production plantsH2S corrosion, hydrogen attack, metal dusting, coking
Calculation of life time of iron-chromium-nickel alloys
Production of inorganic materials
Sulfur chemistryRefractory materials
Glass, cement clinker
Calcination of raw materials
Waelz process for recovery of zinc from steelwork dustsCalcination of siderite ores for providing feed stock for iron and steel industry
Thermal processing of waste materials
Combustion and gasification of waste materialsSeparation of valuable materials
Heat recovery systems
Reactions during cooling of gases from combustion and gasification of fuels and wastesMaterial deposition (fouling) and corrosion in waste heat boilers
Waste gas cleaning
Desulphurization and DeNOx operationsGas cleaning behind combustion and Incineration processes
Computer aided simulation of industrial processes
Calculation of mass, energy and entropy flowsThermodynamic and kinetic analysis of industrial processes with regard to mass and energy transformations
Thermodynamic database and software systems
Providing of databases and software systems for analysis of technical reaction systemsProject Portfolio
Steelmaking
Simulation of vacuum treatment of steel melts for production of high-quality steelRefining of hot metal from scrap smelting
Processing of arsenic-containing iron ores
Iron and steel production by smelting reduction of iron ores
Input of sponge iron into BOF steel converter
Production of synthesis gases in combination with blast furnace for ironmaking
Thermodynamic and kinetic parameters of hot-dip galvanization of steel sheets
Hot metal desulphurization
Desulphurization of liquid iron by injecting Ca and Mg containing powdersFluid dynamics and kinetics of reactions of Mg in a vessel for hot metal desulphurization
Direct reduction of iron ores
Simulation of HYL process for production of sponge iron by direct reductionSteelmaking in electric arc furnaces (EAF)
Mass and energy flows in process concepts for direct reduction of iron ores
Soot formation during production and use of reducing gases
Direct reduction of arsenic-containing iron ores
Direct reduction of manganese containing siderite calcinate
Investigations for avoiding the sticking phenomena in a HYL-plant.
Applicability of sponge iron production in Turkey
Recycling of steel work dusts
Thermodynamics and kinetics of reactions in the Waelz process:Process model for the Waelz process
Comparison of reactor geometry, material and energy efficiency in different Waelz plants
Processing of Waelz oxide (WOX)
Further processing of Waelz slag to reduce the final ZnO content
Studies on the improvement of zinc recovery
Non-Ferrous Metallurgy
Extraction of non-ferrous metals from sulfide concentrates by cyclone smelting.Extraction of NF-metals by chlorination of ores and intermediates
Use of plasma jets for the extraction of metals from melts
Extraction of refractory metals such as Ti, Zr, W, Y etc.
Study on the production of Ti and TiO2 from Ti containing ores and concentrates.
Production of ferroalloys
Investigation of the formation of hard inclusions in brass
Metal extraction by leaching and cementation in aqueous solutions
Secondary copper smelting
Smelting of copper scrapDevelopment of a simplified model of shaft furnace for scrap smelting
Waste gas treatment under avoiding dioxin formation behind shaft furnace
Recycling of battery scrap
Lead winning by smelting of battery scrap, process optimization including gas cleaning system by implementation of a two-step post-combustion reactorZinc and sulfur chemistry
Production of zinc oxide from Zn containing residualsDevelopment of lead- and mercury free alloys for battery anodes
SO2 production by decomposition of industrial residues
Material deposition in the off-gas system of SO2 plant
SO2 production using liquid sulfur
Production of sodium hydrogen sulfate in a molten bath reactor with immersion burner
Leach cleaning for zinc sulfate production
Calcination processes
Basic process design for a rotary kiln for dolomite calcinationReactions in Waelz kiln for recovery of zinc from steelwork dusts
Basic design of a calcination plant for utilization of siderite ores as feed stock for steelworks
Refractory materials
Stability of different ceramics in different metallurgical smelting reactorsRefractory wear in an arc furnace for rock-wool production
Stability of special ceramics used in carbon-black production
Glass making
Corrosion of molybdenum electrodes in a glass furnace for Pyrex-glass fabricationInfluence of hydrogen in contact with liquid glass in a glass furnace
Use of melting cyclone in glass production
Cement technology
Circulation of alkalis and other substances in the rotary kiln during cement clinker productionUtilization of waste and residual materials as source of energy and raw material in cement clinker production
Use of a cyclone heat exchanger system with special gas scrubbing
Coal gasification
Thermodynamic and kinetics of reactions during combustion, gasification and pyrolysis of coalCoal gasification in a molten iron bath reactor
Thermodynamic and kinetics of reactions during injection of coal and oxygen into molten iron
Energy Technology
Calculation, analysis and evaluation of mass, energy and entropy flows in thermal power plantsSimulation of reactions in the boiler systems for heat recovery
Incineration of waste and residues in coal-fired power stations.
Material deposition in the boiler system during coal combustion with sewage sludge addition
Analysis of the reactions for removal of pollutants (NO, SO2 etc.) from the flue gases
Separation of salts from the circulation water in power plants
Thermodynamic simulation of chemical reactions between neutral species in case of a core smelting accident in a nuclear reactor
Flue gas cleaning
Emission of pollutants from industrial plantsMaterial deposition in a DeNOx katalaysator in the flue gas cleaning system of a waste incineration plant
Reaction of SO2 and NO during cooling of hot flue gases
Improvement of the separation of mercury and dioxins from exhaust gases
Purification of waste water from light metal die-casting operations
Heat recovery systems
Reactions and heat release in waste heat boilers (WHB)Material deposition in WHB coupled with fuel combustion, coal gasification, and metallurgical smelting processes for production of copper, lead, zinc etc.
Gasification of fuels (coal, biomass, organic and inorganic chemical wastes)
Smelting reduction of iron ores
Corrosion of metal alloys
Corrosion of iron and iron-chromium-nickel alloys in contact with reducing gases: H2S corrosion, hydrogen attack, metal dusting, cokingCorrosion phenomena in petrochemical plants and during synthesis gas production
Corrosion rate of boiler materials in different applications
Calculation of life time of alloys
Thermal waste treatment
Comparison of different methods for thermal treatment of solid wastes on the basis of thermodynamic enthalpy and entropy balances (on behalf of state environmental authority)Analysis of waste treatment methods applying combustion and gasification processes
Investigation of incineration capacity of a municipal waste incineration plant under consideration of waste composition and heat load of the furnace
Simulation of solid waste incineration by grate firing
Material deposition in the boiler systems of waste incinerators (5 investigations)
Corrosion phenomena in heat recovery/boiler systems
Reactions of sodium bicarbonate for acid gas scrubbing
Sticking phenomena behind the DeNOx-reactor in an off-gas cleaning system
High temperature waste processing/gasification under formation of molten phases.
Gas cleaning behind waste incineration
Process simulation including the reactions of mercury in the boiler- and waste gas cleaning systemOptimization of gas cleaning system (dew point problem)
Comparison of reactions of lime and sodium bicarbonate
Mercury adsorption on activated carbon at low temperatures
COS and H2S adsorption dry-cleaning systems
Secondary aluminum smelting
Gases and dusts in the flue gas from a secondary aluminum smelterWaste gas cleaning with alkali scrubber with alkali cleaning followed by dioxin adsorption
Thermochemical Database and Software Systems
THERMOCHEM has relevant experience in the application of thermodynamics to the solution of technical-scientific problems in chemistry, metallurgy, materials science, combustion of fossil fuels, energy and environmental technology, waste incineration, material corrosion. These include constantly updated data compilations, software systems and books that have been used worldwide for decades.
THERMOCHEM can supply following products:
- Thermodynamic data of pure substances and mixtures
- Thermodynamic data of substances dissolved in solid and liquid iron
- Thermodynamic data banks for special applications
- Software systems for thermodynamic calculations
- Implementation of thermodynamic software and data basis into the process control system
THERMOCHEM services for thermodynamic calculations:
- Providing thermodynamic data of pure substances
- Assessment and compilation of data describing the thermodynamic properties of natural substances (minerals, ores, fuels) as well as intermediates and residues from industrial processes
- Determination of material conversions such as crystal transformation, melting, evaporation, sublimation, etc. of individual substances and substance groups
- Determination of material and energy transformations in technical material systems, including reactions between neutral species, ions and electrons in solid, liquid, gaseous and plasma states
- Investigation of reactions in complex material systems taking into account reaction kinetic and reactor parameters
- Establishment of energy and entropy balances for industrial processes
- Conducting studies and surveys based on thermodynamic calculations and process-analyses
- Analysis and detection of disturbances in industrial plants: process modifications and material wear/corrosion
THERMOCHEM data banks:
- Thermochemical data of pure substances:
a) Existing data base: Property data given in Ref. 2c und 3c (see References):
Complete thermochemical data of 2518 pure substances (including 230 organic compounds) consisting of 3297 independent data sets describing the properties of the individual phases of substances.
b) Current data base: Supplement to (a):
Revised and extended data of 803 individual substances consisting of 1005 substance phases with 1089 data sets. - Thermochemical data of aqueous solutions given in equiTherm V5.0 (Ref. 3d)
Properties of neutral species and ions dissolved in water. - Thermochemical data of free “gaseous” electrons as well as electrons in different electrode materials given in equiTherm V5.0 (Ref. 3d)
- Thermochemical data of gaseous ions given in equiTherm V5.0 (Ref. 3d)
- Thermochemical data of about 30 substances in dilute solution in solid and liquid iron and copper. These data are directly compatible to the data of pure elements.
- Table with calculation algorithm for the determination of interaction parameters for liquid iron (related to (5))
THERMOCHEM works with comprehensive thermodynamic data compilations which are periodically examined, revised and extended. The data sets specified above under in (1a) and (1b) include the data of almost all substances occurring in mass and energy transformation processes in metallurgy and inorganic chemistry including combustion and gasification of fuels and wastes. The data of electrons, ions and dissolved substances are represented in the same functional system as used for pure neutral substances so that the thermodynamic calculations applied to reactions between substances in different states are considerably simplified. This may simplify the work of engineers and scientists with a variety of technical tasks.
THERMOCHEM uses the following software systems for thermodynamic calculations:
- equiTherm V5.0 for Windows for general applications (Ref. 2d)
This calculation software is coupled with the data bases (1a), (2), (3) and (4) with the THERMOCHEM supplements (1b), (5) and (6). - equiTherm V5.0 for Windows for special applications
Excerpts: Direct reduction of iron ores, pellet induration process, steel making in EA-furnace, BOF process, raffination of steel melts, vacuum treatment of liquid steel, smelting reduction of iron ores, smelting of sulfidic ores of NF-Metals, coal gasification in liquid iron bath, coal combustion in thermal power stations, combustion and gasification of solid waste materials, incineration of municipal wastes by grate firing systems, material deposition and corrosion phenomena in boilers behind combustion furnaces, refractory wear and material corrosion during smelting and combustion processes, stability of refractory materials in contact with liquid metals, slags, glasses and gases at high temperatures, smelting and dissociation of materials during production of ferrites.
Selected Publications
Books
1a) | I. Barin, O. Knacke Thermochemical Properties of Inorganic Substances, Springer Verlag, Berlin, Verlag Stahleisen, Düsseldorf 1973 |
1b) | I. Barin, O. Knacke, O. Kubaschewski Thermochemical Properties of Inorganic Substances, Supplement, Springer Verlag, Berlin, Verlag Stahleisen, Düsseldorf 1977 |
2a) | I. Barin Thermochemical Data of Pure Substances, VCH Verlagsgesellschaft, Weinheim 1989 |
2b) | I. Barin et al. Thermochemical Data of Pure Substances, revised 2nd edition, VCH Verlagsgesellschaft, Weinheim 1993 |
2c) | I.Barin et al. Thermochemical Data of Pure Substances, revised 3rd edition VCH Verlagsgesellschaft, Weinheim 1995 |
Software Systems, Data Bases
3a) | I. Barin, G. Erikson, F. Sauert, M. Zeidler, W. Schmidt equiTherm, Datenbank mit Programm für thermodynamische Berechnungen VCH Verlagsgesellschaft, Weinheim 1989 |
3b) | I. Barin, W. Schmidt, J. Schilling et al. equiTherm, Databank and computer program for thermodynamic calculations VCH Verlagsgesellschaft, Weinheim 1993 |
3c) | equiTherm, Databank and computer program for thermodynamic calculations, version 4.01, VCH Verlagsgesellschaft, Weinheim 1995 |
3d) | I. Barin, G. Erikson, W. Schmidt: equiTherm V5.0 for Windows, Database and software package for thermodynamic calculations, version 5.0, Scienceware - VCH Software, Münster, 1997 |
Applied Thermodynamics
4) | I. Barin, R. Gallagher, B. Frassek, P. J. Spencer Aufbau und Nutzung einer thermodynamischen Datenbank für anorganische Stoffe Erzmetall 33 (1980) 226 |
5) | I. Barin, O. Knacke Simplified Thermochemical Functions for Tabulation, Met. Transactions 5 B (1974) 1976 |
6) | O. Kubaschewski, I. Barin Phase Equilibria in Condensed Systems, Pure and Applied Chemistry, 38 (1974) 469 |
7) | P.J. Spencer, I. Barin Computer generated phase diagrams, Material in Engineering Applications, 1 (1979) 167 |
8) | I. Barin, R. Gallagher, M. Lemperle Calculation of predominance area diagrams and their use in extraction and process metallurgy, in "Industrial Use of Thermochemical Data", T. I. Barry (Editor) National Physical Laboratory, The Chemical Society, Publ. No. 3, London 1979/80 |
10) | I. Barin, O. Knacke, D. Neuschütz Thermodynamische Gleichgewichte bei der Erzeugung von Reduktionsgasen, Berichte des Betriebsforschungsinstitutes des Vereins Deutscher Eisenhüttenleute, Düsseldorf, a) Nr. 86 (1970) b) Nr. 166 (1971) |
Reaction Kinetics
11) | I. Barin, W. Schuler On the kinetics of the chlorination of titanium dioxide in the presence of solid carbon, Metal. Transactions B, 11 B (1980) 199 |
12) | I. Barin, S. Leber, M. Lemperle Influence of Metal Wustite Separation on the Reduction of Wustite with Hydrogen, Steel Research (Arch. Eisenhüttenwes.), 56 (1985) 187 |
13) | I. Barin, M. Modigell, and F. Sauert Thermodynamics and Kinetics of Coal Gasification in a Liquid Iron Bath, Metallurgical Transactions B, Vol. 18B (1987) pp. 347-353 |
14) | I. Barin, M. Lemperle, I. Majewski, A. von Richthofen Kinetics of Wustite Reduction with H2 and CO in Presence of Catalysts Separated from the Wustite Proceedings of the Sixth International Iron and Steel Congress, Vol. 1, Fundamentals, pp 66 - 74, Nagoya 1990, The Iron and Steel Institute of Japan (ISIJ) |
15) | M. Lemperle, M. Modigell, A. Knapp, H. Wilhelmi Kinetics of metal sulfide evaporation in high temperature smelting processes, TMS Technical paper, presented at the AIME Meeting 1986, USA, Paper-No. A 86-58 |
Reaction Kinetics/Mass Transfer Phenomena
16) | S. I. Pyun, I. Barin Untersuchungen über die Kinetik des Kohlenstoffabbrandes aus den Teerdolomitsteinen mit gasförmigen Sauerstoff, Radex Rundschau (1985), Heft 1/2, 554 |
17) | K. Schwertfeger, I. Barin Desulfurization of hot coal gas with lime, in Erdöl und Kohle-Erdgas-Petrochemie vereinigt mit Brennstoff-Chemie, 46 (1993) 103 - 110 |
Electrochemistry
18) | I. Barin, H. Barth, A. Yaman Electrochemical investigations of the kinetics of gold cementation by zinc from cyanide solutions, Erzmetall, 33 (1980) 399 |
Technical Processes
19) | I. Barin, F. Sauert On the thermodynamics and kinetics of cyclone smelting of sulphidic copper concentrates, in "Complex Sulphide Ores", M.J. Jones (Editor), pp. 133 - 198, The Institution of Mining and Metallurgy, London 1980 |
20) | I. Barin, M. Modigell, F. Sauert Thermodynamics and Kinetics of Cyclone Smelting of Metal Sulphides, in "Advances in Sulfide Smelting", Volume 1, Basic Principles, H.Y. Sohn, D.B. George, A.D. Zunkel (Editors), pp. 257 -273, the Metallurgical Society of AIME, Warrendale |
21) | I. Barin, M. Modigell Kinetics of dezincification and deoxidation of liquid copper with argon-hydrogen plasma jets, Erzmetall, 39 (1986) 618 |
22) | I. Barin, M. Modigell Modelluntersuchungen zur Raffination von metallurgischen Schmelzen durch Aufblasen von Plasmastrahlen, in "Elektroofentechnik in der Metallurgie", Herausgegeben von GDMB, VCH Verlagsgesellschaft, Weinheim 1988 |
23) | G. Henrich, I. Barin, H. Pook, W.D. Waldhecker, K. Yamamori, S. Okamura, D. Shimizu, K. Okane Kohlevergasung im Eisenbad nach dem MIP-Prozeß, Chemie-Technik, 13 (1984) 45 |
24) | I. Barin, G. Melcher, M. Modigell, Principles of the Contop Process, Rate Phenomena in Cyclone Smelting with subsequent Slag Treatment, in "Flash Reaction Process", Robertson, Sohn, Themelis (Editors), pp. 125-144, Center for Pyrometallurgy Conference, University of Utah, Salt Lake City, Utah, 1988 |
25) | M. Modigell, I. Barin Rate Penomena in Top-Blowing Reactors, in "Proceedings, Technological Advancesin Metallurgy", No. 7, Mefos, Boliden, Lulela, Sweden, 1988 |
26) | I. Barin, M. Lemperle, M. Modigell Smelting Reduction of Iron Ore, Steel Research (Arch. Eisenhüttenwes.), 60 (1989) 120 |
27) | I. Barin, R. Klefisch, M. Lemperle, M. Modigell The Three Stage Process for Smelting Reduction of Iron Ore, The Korean Institute of Metals, SRNC-90/Pohang 1990, Conference Proceedings 1, New Smelting Reduction, pp. 361 - 370 |
28) | I. Barin, H. Pook Das KHD-Cormin-Verfahren zur thermischen Behandlung von Stäuben, Vortrag Nr. 14, Rückstände aus der Müllverbrennung, VGB-Kraftwerkstechnik GmbH, Essen 1991 |
29) | I. Barin, H. Eipper, H. Igelbüscher, M. Modigell Thermische Abfall- und Reststoffbehandlung in der Wirbelschicht mit angeschlossenem Heißgaszyklon, in K.J. Thomé-Kozmiensky (Herausgeber) "Reaktoren zur thermischen Abfallbehandlung", EF-Verlag GmbH, Berlin 1993, ISBN 3-924511-69-1 |
30) | I. Barin, M. Modigell, F.-R. Zenz, B. Bussmann, B. Gondermann Verbrennung von Klärschlamm-, Shredderleichtfraktion-Mischungen im Wirbelschichtofen mit angeschlossenem Heißgaszyklon, Vortrag VDI-Bildungswerk 10.-11.05.93, München |
31) | I. Barin, M. Modigell, M. Mersmann Verbrennung von Abfall- und Reststoffen im Wirbelschichtofen-Zyklon-System Vortrag VDI Bildungswerk 21.-22.02.1994, Düsseldorf |
32) | Ihsan Barin, Pinar Gökcin, Tamer Atabarut Coincineration of Different Wastes: Waste Utilization and Waste–To–Energy Systems, „The Criton Curi International Symposium on Environmental Management in the Mediterranean Region, June 18-20, 1998, Antalya, Türkiye |