FactSage 6.0中数据库部分的主要更新:
· Databases
- The 'Database' drop down menu that appears in many programs has been completely rewritten and simplified. A new 'Data Search' Window now appears where the data search options (gaseous ions, aqueous species, CxHy etc.) are displayed together with the selection of the databases. Adding and removing databases to and from the list is much simpler.
· FToxid database (氧化物数据库)
- System Al2O3-SiO2-B2O3-CaO-MgO:
- All B2O3-containing sub-systems have been completely re-evaluated and re-optimized for all compositions and all phases
- New B-containing melilite phase (gehlenite) (FToxid-Gehl)
- New compounds Ca2B2SiO7 and Ca11B2Si4O22
- New model for B-containing mullite. Former phases FToxid-MulB and FToxid-MULL combined into FToxid-Mull
- Update of evaluation of boron in Ca2SiO4 (alpha and alpha-prime)
- System Na2O-B2O3-SiO2:
- Slag/glass phase re-evaluated and re-modeled. The charge compensation effect has been taken into account.
- Compounds Na3BO3 and NaBSiO4 added
- System Na2O-Al2O3-SiO2:
- Completely re-evaluated and re-optimized at all compositions and for all phases The charge compensation effect has been taken into account for the liquid phase.
- Nepheline, carnegeite and NaAlO2 (FToxid-Neph, FToxid-Carn, FToxid-NASl and FToxid-NASh) solutions are new, replacing the former stoichiometric compounds NaAlSiO4 and NaAlO2.
- System Na2O-Al2O3-SiO2-MgO-CaO:
- Evaluation/optimization updated
- Systems with MnO and Mn2O3:
- Mn-Si-O and Mn-Fe-Si-O systems re-evaluated with the addition of trivalent Mn3+ (Mn2O3).
- New solution phases braunite and bixbyite added (FToxid-Brau and FToxid-Bixb).
- Slag, spinel and olivine phases updated as regards Mn
- FToxid-Rhod (rhodonite) updated to include FeSiO3 and MgSiO3 as components. Former phase FToxid-MnPy has been merged into FToxid-Rhod
- Mn2O3 now a component of the corundum phase FToxid-Coru
- New tetragonal spinel phase (FToxid-TSPi) added. (Mn3O4 with Fe and Cr in solution)
- New compounds Mn2O3 and MnO2
- Systems with chrome oxides:
- New spinel phase FToxid-SPINB (FeO-CrO-MnO-Cr2O3-Fe2O3-Mn2O3)
- New (Mg,Cr)-olivine phase FToxid-OlivB.
- Systems with titanium oxides:
- Systems TiO2-Al2O3-MO (M = Ca, Mg, Mn) re-evaluated and re-optimized
- Ti2O3 added as a component to the corundum FToxid-Coru phase
- Al added as a component to the titanium spinel phase (FToxid-TiSp)
- Monoxide phase:
- Former phases FToxid-MeO and FToxid-MONO have been merged into new FToxid-MeO containing FeO-CaO-MgO-MnO-NiO-CoO + (Al, Fe(III),Cr,Zn in dilute amounts)
- Sulphide solubilities in slags (sulphide capacity):
- Completely re-evaluated and re-optimized using all available latest experimental data and using a new model (Modified Quasichemical Model in the Quadruplet Approximation) permitting calculations even to high sulphide contents.
- C, N and CN capacities of slags modeled in FToxid-SLAGH
- Compound Ca4Si2F2O7 added
· FTlite database(轻金属数据库)
- This is a major expansion and update of the previous FSlite database for light metal (mainly Al-based and Mg-based) alloys. The number of fully assessed binary and ternary systems has more than doubled and a great many previous assessments have been re-evaluated and re-optimized based upon the most recent data and improved solution models.
- The Mg-Al-Mn-Zn-Li-Ca-Sr-Ce-Y system has been completely re-optimized with the Modified Quasichemical Model for the liquid phase for short-range ordering (solute-solute interactions). Note that intermetallic ternary solid solutions are not completely evaluated in some subsystems.
- The volumetric properties (density, molar volume) for the Mg-Al-Mn-Zn-(Fe) system (phases in equilibrium with HCP_A3) are modeled: click the ?use molar volume? option in EQUILIB.
- Clients who have already licensed FSlite and whose licences have not expired will receive FTlite as an update of FSlite at no additional charge.
· SGnobl database(贵金属数据库):
- This is a major expansion and update of the previous FSnobl database for noble metal alloys. The number of fully assessed binary and ternary systems has nearly doubled and many previous assessments have been re-evaluated and re-optimized based upon recent data.
- Clients who have already licensed FSnobl and whose licences have not expired will receive SGnobl as an update of FSnobl at no additional charge.
· SGTE2007 database(SGTE合金数据库2007版):
- This is a major expansion and update of the previous SGTE2004 alloy database with many more fully assessed systems. As well, many previous assessments have been re-evaluated and re-optimized based upon recent data.
- Clients who have already licensed SGTE2004 and whose licences have not expired, will receive SGTE2007 as an update of SGTE2004 at no additional charge.
· SGsold database(焊料数据库):
- This is a new database from SGTE for alloy systems involving the following elements which are components of lead-containing and lead-free solders: Ag, Au, Bi, Cu, In, Ni, Pb, Pd, Sb, Sn, Zn.
· FTpulp database(纸浆数据库):
· FTmisc database(综合数据库):
- Corrections have been made to the liquid Sn, FTmisc-Snlq phase.
- The FTmisc-Felq liquid iron phase has been updated in FactSage 6.0; it is no longer identical to the liquid iron phase in the FSstel database. This phase is better suited for calculations involving iron and steelmaking processes, whereas the liquid iron phase in the FSstel database is better suited for calculations involving solidification of alloys.
- Minor corrections have been made to the database for the Fe-S system.
· FSstel database(钢铁数据库):
- Species selection with the Equilib and Phase Diagram modules has been made simpler. (Try it and see.)
- Some minor updates.
· FTsalt database(熔盐数据库):
- Temperature-dependent volumetric properties (densities) have been added in the FTsalt-SALT liquid solution for the following 50 pure liquids: LiF, NaF, KF, RbF, CsF, MgF2, CaF2, LaF3, CeF3, LiBr, NaBr, KBr, RbBr, CsBr, MgBr2, LiI, NaI, KI, RbI, CsI, Li2CO3, Na2CO3, K2CO3, LiNO3, NaNO3, KNO3, RbNO3, CsNO3, LiOH, NaOH, KOH, Li2SO4, Na2SO4, K2SO4, LiCl, NaCl, KCl, RbCl, CsCl, MgCl2, CaCl2, SrCl2, BaCl2, MnCl2, ZnCl2, PbCl2, AlCl3, LaCl3, CeCl3, CaO.
- Volumetric properties (densities) have been modeled in the FTsalt-SALT liquid solution for the following 13 binary liquids: LiF-NaF, LiF-MgF2, LiF-CaF2, NaF-MgF2, NaF-CaF2, MgF2-CaF2, NaCl-KCl, NaCl-MgCl2, NaCl-CaCl2, KCl-MgCl2, KCl-CaCl2, MgCl2-CaCl2, CaF2-CaO. In particular, satisfactory density calculations can be performed for the NaCl-KCl-MgCl2-CaCl2 quaternary liquid.
- Note that the box 'include molar volumes' in the Equilib module must be checked in order to perform density calculations.
- The FTsalt-SALT liquid solution has been extended with the addition of ZnCl2. NaCl-KCl-MgCl2-CaCl2-AlCl3-ZnCl2 is a newly approved sub-system of FTsalt-SALT (corresponding to the ISalt-liquid solution). In particular, all five binary subsystems involving ZnCl2 as well as the NaCl-KCl-ZnCl2 and KCl-CaCl2-ZnCl2 ternary subsystems have been optimized. The following compounds have been added to the FTsalt pure compound database: ZnCl2(s,l), Na2ZnCl4(s), K2ZnCl4(s), KZn2Cl5(s), K5Zn4Cl13(s). The following gaseous species have been added to the FACT53 pure compound database: ZnCl2(g), Zn2Cl4(g), NaZnCl3(g), KZnCl3(g).
· FS53 compound database(纯物质数据库):
- Some minor updates and corrections