New software for Simulations of Metal-Slag Interactions. ACCESS Workshop/Users-Meeting September 25, 2007 Thermo-Calc Software, Stockholm, Sweden

Transcription

1 Computational Thermodynamics and Kinetics New software for Simulations of Metal-Slag Interactions ACCESS Workshop/Users-Meeting September 25, 2007, Stockholm, Sweden Phone: Fax:

2 Making Life Better or Worse? Cream Coffee Temperature Sweet Water Sweet water+ wet sugar Grams of sugar (% sugar)

3 Requirements from industries Q Steel scrap Gas Slag? Lime Liquid Steel insulation O 2

4 Requirements from industries Liquid Slag Formation and Solid Inclusions in Steels Slag Formation in Refractory Converter Slag-Removal During Hot/Cold Rolling (Clean Steelmaking) Solubility/Activity of Oxygen in Liquid Steel Metallurgical Extraction Casting in Production Lines more Metal-Slag Interaction Module (Mixing Steel/Alloy with Slag)

5 Experiences from industries Example: Slag Formation in Refractory Converter AOD Converter at TK AST Improved AOD Process Control System: Tuyeres area: texture of recation zone Experiements + Calculations

6 Experiences from industries Example: Slag Formation in Refractory Converter AOD Converter at TK AST

7 Ordinary TC Calculations Ordinarily through the TCC/TCW software, it is possible to make various calculations for heterogeneous systems involving complex metal-slag interactions: Liquid slag phase alone; Alloy phases in equilibirum with slag phases (liquid slag + oxide solids); Alloy+slag+gas phases. The MACRO feature of TCC software is especially useful and efficient in making complicated calculations of complex metal-slag interactions in heterogeneous systems, while to some extends it may be time-consuming and experience-demanding.

8 Ordinary TC Calculations T 600 o C B 2-3 MgO 9 20% Al 2 O 3 T=590C 0% Al 2 O 3

9 Ordinary TC Calculations DATABASE:SLAG2 P=00000, B=00, W(FeO)=0.5, W(SiO2)=0.2, W(MgO)=0., W(MnO)=0.05, W(P2O5)=0.0, W(CaO)= Stable Phases (weight_percent) CaO-MgO-MnO-FeO-Fe2O3-SiO2-P2O5 System (using TCCQ) :T,BP(SLAG) 2:T,BP(FE2O3) 3:T,BP(MG2O2_SIO2) 4:T,BP(CAO_MGO_SIO2) 5:T,BP(CAO_SIO2) 6:T,BP(WUSTITE) 7:T,BP(MN2O2_SIO2) 8:T,BP(FE2O2_SIO2) 9:T,BP(CA3O3_SI2O4) Bulk Composition (wt%): CaO = 0. MgO = 0. MnO = 0.05 SiO2 = 0.2 P2O5 = 0.0 FeO = 0.5 Fe2O3 = remaining TEMPERATURE_KELVIN Phase diagrams of the CaO-MgO-MnO-FeO-Fe2O3-SiO2-P2O5 system

10 Ordinary TC Calculations Example: Steel Refining :VO,W(FE_LIQUID,C) 2:VO,W(FE_LIQUID,CA) 4:VO,W(FE_LIQUID,MN) 5:VO,W(FE_LIQUID,O) 6:VO,W(FE_LIQUID,SI) W(FE-L,*) Steel scrap Lime (CaO) FUNCTION VO O 2 Volume (m 3 ) 2 5 insulation Liquid steel, high in C O 2 Slag? Liquid steel with 4%C, %Mn, 0.6%Si (wt%). Oxygen and lime added. Assume no heat loss to environment. Starting T=673 K. Scrap will also be added during the oxygen blowing.

11 Ordinary TC Calculations Example: Oxygen Solubility/Activity in Liquid Steel TC Calculation: Formation of liquid slag and solid inclusions under certain temperature conditions (and partial CO2 pressures) Bulk Composition (wt%) Fe C Si Mn Cr Al Cu Mo Ni Co Nb remaining Ti Mg V P B N S O <

12 Ordinary TC Calculations Example: Oxygen Solubility/Activity in Liquid Steel Formation of liquid slag and solid inclusions THERMO-CALC ( :2.2) : Databases: TCFE3 + SLAG2 THERMO-CALC ( :2.56) : Databases: TCFE3 + SLAG2 Stable Phases (wt%) M2B Cementite FCC_A# FCC_A#2 Tridymite Slag (S-rich) Metallic Liquid Slag (O-rich) TEMPERATURE_CELSIUS Stable phase assemblages and partial pressures of some saturated gaseous species in the system over the temperature range from 000 to 2000 o C. Partial Pressure for Some Specific Gaseous Species (bar) N O2 TEMPERATURE_CELSIUS CO CO2

13 Ordinary TC Calculations Example: Oxygen Solubility/Activity in Liquid Steel Formation of liquid slag and solid inclusions THERMO-CALC ( :2.28) : Databases: TCFE3 + SLAG2 THERMO-CALC ( :2.28) : Databases: TCFE3 + SLAG2 Composition in Liquid Steel (grams / 00 grams of system) Fe 0 C Si Mn Cu Cr Mo. S V P Ni Ti Nb.0 N Co B.00 Al 0-4 Mg 0-5 O O Solubility in Liquid Steel (ppm) OPPM_LIQ = B(LIQ,O)/BP(LIQ)*E TEMPERATURE_CELSIUS TEMPERATURE_CELSIUS Equilibrated composition of the metallic liquid phase, and variation of oxygen solubility in liquid steel, over its stable temperature range.

14 Ordinary TC Calculations Example: Oxygen Solubility/Activity in Liquid Steel Formation of liquid slag and solid inclusions THERMO-CALC ( :2.42) : Databases: TCFE3 + SLAG2 THERMO-CALC ( :2.5) : Databases: TCFE3 + SLAG2.0 Composition in Liquid Slag (grams / 00 grams of system) Cr Fe Al Mg Mn Si S O Slag (S-rich) P Mg Si Al Fe Mn Cr TEMPERATURE_CELSIUS O S Slag (O-rich) P Dominant Slag Species (mole-fraction) Slag (S-rich) Slag (O-rich) Cr2S3 MgO_SiO2 MgO Fe2S TEMPERATURE_CELSIUS THERMO-CALC ( :2.) : Databases: TCFE3 + SLAG2 SLAG Mass_Fraction in Inclusion Fe2S3-Cr2S3 0 Slag (S-rich) Slag (O-rich) SLFw = BP(SLAG) / [B-BP(LIQUID)]..0 Equilibrated composition of the liquid slag phase, over its stable temperature range TEMPERATURE_CELSIUS

15 Ordinary TC Calculations Example: Heterogeneous Interaction between Liquid Steel and Slag THERMO-CALC ( :4.39) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) 2 ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) + 00 kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) THERMO-CALC ( :4.3) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) 0 7 ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) + 00 kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) 0 Liquid 0 6 FCC_A Liquid Stable Phases (grams) BCC_A2 Slag Stable Phases (grams) Ca3O3_SiO2 Ca2O2_SiO2 MgO BCC_A2 Slag 0 Ca2O2_SiO2 MgO TEMPERATURE_CELSIUS Equilibrated phase assemblages in the interaction between ton of liquid steel (Fe-.2Mn-0.0Si-0.C wt%) and 00 kg of slag (20FeO-8MgO-52CaO-20SiO2 wt%) over the temperature range from 600 to 450 o C TEMPERATURE_CELSIUS Equilibrated phase assemblages in the interaction between ton of liquid steel (Fe-.2Mn-0.0Si-0.C wt%) and 00 kg of slag (20FeO-8MgO-52CaO-20SiO2 wt%) over the temperature range from 600 to 350 o C.

16 Ordinary TC Calculations Example: Heterogeneous Interaction between Liquid Steel and Slag Activities of System Components (ref. to SER) THERMO-CALC ( :4.23) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) + 00 kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) Si TEMPERATURE_CELSIUS Activities of components in the interaction between ton of liquid steel (Fe-.2Mn- 0.0Si-0.C wt%) and 00 kg of slag (20FeO- 8MgO-52CaO-20SiO2 wt%) over the temperature range from 600 to 350 o C. Fe C Mn Mg O Ca Phase Amount, Compared to Original (grams) THERMO-CALC ( :5.09) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) + 00 kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) Slag at high-t, loss: entering liquid at low-t, loss: forming oxides, etc. Liquid at high-t, gained: dissoved from slag at low-t, loss: forming BCC, FCC & others TEMPERATURE_CELSIUS Equilibrated amounts of the liquid steel and slag phases in the interaction between ton of liquid steel (Fe-.2Mn-0.0Si-0.C wt%) and 00 kg of slag (20FeO-8MgO-52CaO- 20SiO2 wt%) over the temperature range from 600 to 350 o C. Note: Various components moves among the two phases in different directions (at high temperatures). Other phases form at low temperature range.

17 Ordinary TC Calculations Example: Heterogeneous Interaction between Liquid Steel and Slag Liquid Speciation (grams) THERMO-CALC ( :5.29) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) + 00 kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) O C Fe Ca Mn Si Slag Speciation (grams) THERMO-CALC ( :5.38) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) O Fe Ca Mn ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) + 00 kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) Si.0 Mg 0-4 Mg TEMPERATURE_CELSIUS Composition (mass of components) of the equilibrated Liquid phase in the interaction between ton of liquid steel (Fe-.2Mn- 0.0Si-0.C wt%) and 00 kg of slag (20FeO- 8MgO-52CaO-20SiO2 wt%) over the temperature range from 600 to 350 o C TEMPERATURE_CELSIUS Composition (mass of components) of the equilibrated Slag phase in the interaction between ton of liquid steel (Fe-.2Mn- 0.0Si-0.C wt%) and 00 kg of slag (20FeO- 8MgO-52CaO-20SiO2 wt%) over the temperature range from 600 to 350 o C.

18 Ordinary TC Calculations Example: Heterogeneous Interaction between Liquid Steel and Slag Liquid Speciation (grams): Equilibrated - "Original" THERMO-CALC ( :6.05) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) Mg Ca Si O C -5 ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) TEMPERATURE_CELSIUS Variation of speciation (mass of components) of the equilibrated Liquid phase, compared with the original one, in the interaction between ton of liquid steel (Fe-.2Mn-0.0Si-0.C wt%) and 00 kg of slag (20FeO-8MgO-52CaO-20SiO2 wt%) over the temperature range from 600 to 350 o C. Fe Ca Mn Fe O C Si Mg Slag Speciation (grams): Equilibrated - "Original" THERMO-CALC ( :6.2) : Databases: SSOL2 (SGTE Alloys Database v2) + SLAG2 (TCS Slag Database v2) Mg Si -30 ton of Liquid Steel (Fe-.2Mn-0.0Si-0.C wt%) kg of Slag (20FeO-8MgO-52CaO-20SiO2 wt%) Mn Fe Ca TEMPERATURE_CELSIUS Variation of speciation (mass of components) of the equilibrated Slag phase, compared with the original one, in the interaction between ton of liquid steel (Fe-.2Mn-0.0Si-0.C wt%) and 00 kg of slag (20FeO-8MgO-52CaO-20SiO2 wt%) over the temperature range from 600 to 350 o C. O

19 Background For materials property calculations, materials structure predictions and materials process simulations. Matlab Toolbox Matlab MEX API C API Simulations of Metal-Slag Interactions TC-iSLAG Applications Java API TCAPI FORTRAN API TQ Thermo-Calc

20 New Software Tool Application-orientied software tool for simulations of heterogeneous interactions between metal and slag (also possible with gas). Applications: Direct calculations of equilibrium state among metals (metallic liquid, alloys), slag (liquid slag and oxide solids) and (possible) gaseous environment. Direct calculations of various slag properties of interests. Direct calculations of formations of certain oxides controlled oxygen partial pressure. Designs of steels/alloys and slags optimal processing of steel/alloymaking processes which involve simple/complex slags.

21 New software: Functionality Inputs: Outputs: Requirement: a specific single database (similar to SLAG2 and TCMP2), that contains thermodynamic data for various steel phases, liquid steel and slag solutions, as well as for many solids and gaseous mixtures; A certain amount of a pre-defined slag, and a certain amount of a steel/alloy; Optionally, a gas (pure or mixture) can be added; Temperature-pressure condition. Equilibria for interactions between the defined steel/alloy (metallic liquid and/or alloy phases) and slag (liquid slag and soldified oxides/silicates), under a given or varied temperature condition; Various slag properties of interests (such as C s, L s, B2, B3, B4, Bells ratio, Base2); Activities of some important oxides in the system; Partial pressure of O 2 and S 2 in the system.

22 New software: Slag Properties Slag = liquid slag only, or siquid slag + solid oxides

23 New software: Accessory Developments TCSMP - TCS Steel-Making Processing Database (new database under development) A single database similar to TCMP2 and SLAG2. API (Java-based API) GUI (Graphical User Interface)

24 New software: GUI TC-iSLAG is Java based, so it is possible to be implemented under Windows (current), Linux and UNIX. Its main windows and subsequential windows are simple, flexible and adjustable. Completely GUI-driven; user-friendly interface, and easy/convenient to use.

25 New software: Example Calculation of Complex Heterogeneous Interaction between ton of steel and kg of slag Initial Compositions (wt%) in the Interaction System: Steel: Slag: Database: SLAG2 Fe-2Cr-5Ni-0.5Mn-0.5Si-0.5Nb-0.2W-0.05V-0.0Ca-0.02C 37.2CaO-3.2SiO2-7.4Al2O3-3.7MnO-9Na2O-3CaS2-8.5CaF2

26 New software: Example Step a: Select a single database: From already-initialized database in the TC-iSLAG setup From a USER-specified data area

27 New software: Example Step b: Choose a certain type of pre-defined slag (from a USER library): $ Composition in wt%: $ Pure Chemicals: CaO: CaO 00 MgO: MgO 00 MnO: MnO 00 CrO: CrO 00 Cr2O3: Cr2O3 00 FeO: FeO 00 Fe2O3: Fe2O3 00 Fe3O4: Fe3O4 00 Na2O: Na2O 00 Al2O3: Al2O3 00 SiO2: SiO2 00 TiO2: TiO2 00 VO2: VO2 00 Sulphur: S 00 Phosphorus: P 00 P2O5: P2O5 00 Fluorine: F 00 CaF2: CaF2 00 $ Simple Minerals: LIME: CaO 00 PERICLASE: MgO 00 HEMATITE: Fe2O3 00 MAGNETITE: Fe3O4 00 CORUNDUM: Al2O3 00 QUARTZ: SiO2 00 DOLOMITE: CaO 60 MgO 40 OLIVINE: MgO 50 FeO 0 SiO2 40 PYRITE: FeS 00 FLUORIDE: CaF2 00 $ Complex Slag Mixtures: MySLAG: Fe 65 Cr 20 Si 5.3 Al2O3 * MySLAG2: Al2O3 7.4 CaO 37.2 CaF2 8.5 MnO 3.7 Na2O 9 SiO2 * MySLAG3: Al2O3 7.4 CaO 37.2 CaF2 8.5 MnO 3.7 Na2O 9 CaS2 3 SiO2 * MySLAG4: Al2O3 7.4 CaO 37.2 CaF2 8.5 MnO 3.7 Na2O 9 CaS2 3 P2O5 3 SiO2 *

28 New software: Example Step 2: Define the interaction system and make the single-point calculation: Optional Inputs: Gaseous mixture; O2 partial pressure How many kilograms of the chosen slag are interacting with steel? How many tunes of initial steel are in the furnace? And its composition (simply adding/deleting alloying elements)? What are the temperature (and pressure) conditions? Then press

29 New software: Example Step 3: Check the results from the single-point calculation: Stable phases and phase compositions in the interaction system: More details in the expanded Result windows:

30 New software: Example Step 3: Check the calculation results: Various slag properties: Activities of some important oxides in the system; Partial pressure of O 2 & S 2 in the system:

31 New software: Example Step 4: Make a STEPPING calculation: Varied with temperature condition: Varied with a specific slag or steel composition??? More axis-variable(s) for a MAPPING calculation???

32 New software: Other Possibilities Removing un-desired condition(s) and phase(s):

33 New software: Other Possibilities Manupolating the calculation results:

34 New software: Other Possibilities Reseting calculation accurancy: Default: For more accurant calculations, and for systems with dilute solutes.