FactSage Family of Products and Services

 

(Revised June 21, 2005)

FactSageTM www.factsage.comThermfact/CRCT (Montreal, Canada) www.crct.polymtl.ca 和 GTT-Technologies (Aachen, Germany) www.gtt-technologies.de 合作开发的热力学计算软件与数据库系统。

GTT-TechnologiesThermfact/CRCT 都提供了一些列软件产品,这些均能使用FactSage数据库(*.cst files)或者增强FactSage软件的适用场合。除此之外,其它软件开发者也在他们自己的软件中编写了与FactSage数据与软件的借口。 下面即为这些产品的部分简要列表。


ChemApp - the thermochemistry library for your software

ChemApp provides the powerful calculation capabilities of the ChemSage Gibbs energy minimiser (the same one that powers the FactSage modules Equilib, Phase Diagram and OptiSage) in the form of a programmer's library. It consists of a rich set of subroutines which provides all the necessary tools for the calculation of complex multicomponent, multiphase chemical equilibria and the determination of the associated thermodynamic properties of the system, its phases, and their constituents.

Potential applications for the use of ChemApp are almost limitless and can cover an extremely diverse range of applications. Two distinctly different groups of applications of ChemApp are possible:
  • using it for the development of application-specific programs; for example, for handling repetitive complex equilibrium calculations, for analysis, and for process control in well-defined technological areas,
  • linking it to third-party process simulation packages for modelling new or optimising existing processes; for example, commercial CFD programs such as Fluent®, CFX®, general simulation programs, including Aspen Plus®, PRO II® and also a company's own process simulation program.

ChemApp is available for a wide variety of programming languages (e.g. Fortran, C, C++, Visual Basic®, Delphi®) and hardware platforms/operating systems (e.g. Windows, Linux, Unix).

ChemApp reads ChemSage (.dat and .cst) thermochemical data files (note, .cst files can be generated by the FactSage Equilib module).

For detailed information on ChemApp features, ChemApp "light" versions available for download, publications and ongoing projects together with an online version of the programmer's manual, with complete references to all ChemApp subroutines and dozens of code examples in both FORTRAN and C, plus several worked examples, consult the ChemApp section on GTT-Technologies' web site.  


ChemSheet - the spreadsheet tool for process simulation

ChemSheet combines the flexibility and practicality of spreadsheet applications with rigorous, multi-phase thermodynamic calculations. It was developed in a co-operation between GTT-Technologies and VTT Chemical Technologies in Espoo, Finland.

ChemSheet is an add-in for Microsoft’s EXCEL?. It provides a link between ChemApp, the programmer’s library for thermochemistry (using the same ChemSage Gibbs energy minimiser as in the FactSage modules Equilib, Phase Diagram and OptiSage) and an EXCEL spreadsheet. Each application is defined as an independent worksheet in which the entire simulation can be done. Interaction with ChemSheet is done through easy to use dialog boxes which provide the user with a tool to link values of variables with cells in the spreadsheet. The graphical capabilities of EXCEL are available for the visualisation of the results.

One of the major strongholds of ChemSheet is its applicability to systems with kinetic inhibitions such as the production of TiO2 reaction of TiCl4 with O2. Although the equilibrium of this reaction is on the TiO2 side it is kinetically retarded. The effect of this constraint on the global equilibrium with all other chemical species of the system being fully equilibrated has been successfully modelled using ChemSheet.

ChemSheet requires ChemSage (.dat or .cst) thermochemical datafiles. (.cst files can be generated by the FactSage Equilib module.) For the inclusion of the data that permit the kinetic calculations referred to above it is necessary to modify the standard .dat file. A software called ChemSage File Administration Program is available for that purpose.

A free demo version of ChemSheet, called ChemSheet-light, is available. For more details on ChemSheet including animations of ChemSheet applications and a download of the demo version click on ChemSheet Information.


SimuSage - the component library for rapid process modelling


SimuSage
is a ChemApp-based set of Delphi components for process simulation (flowsheeting) tasks. SimuSage has originally been developed by SMS Demag as an internal tool. Subsequent development work at GTT-Technologies has turned it into a commercial product.

With SimuSage you can develop a model for a process using a set of "unit operations". These are comprised of stream splitters, mixers, equilibrum reactors, iterators and others. Build your entire model using the unit operations in basic configurations such as by-passes or split equilibria (to include kinetic inhibitions into your process), or use recycle streams with (or without) internal equilibrium in order to handle output from one stage as input to a previous stage.

Simple process simulations can be set up using visual programming alone, no coding is required. When the demands in the complexity of your simulations increase, Delphi with its technologically advanced programming concepts and tools offers you everything necessary to produce highly customized applications.

The highlights of SimuSage are:

  • Rapid process modelling: assemble process models involving complex thermochemistry in a minimum amount of time
  • Modern development environment: use state-of-the-art Borland Delphi visual programming tools
  • Fast, custom-made programs: create standalone executables for internal or external distribution
  • Limitless extensibility and customization: all Delphi features are available to extend SimuSage and customize your own applications
ChemApp reads ChemSage (.dat and .cst) thermochemical data files (note, .cst files can be generated by the FactSage Equilib module).

For more information, consult the SimuSage section on GTT-Technologies' web site.


FactSage - OLI Systems Interface - the link to the OLI Aqueous Databanks

. has developed commercial computer software and databases that simulate aqueous-based chemical systems and employ a predictive thermodynamic framework for calculating the physical and chemical properties of multi-phase, aqueous-based systems.

The core data are stored in the OLI Databank (Public.ddb) that contains thermodynamic, transport, and physical properties for 79 inorganic elements (including actinides, heavy and precious metals) and their associated aqueous species applicable in the following ranges: temperature, -50 to 300 °C; pressure, 0 to 1500 bar; ionic strength, 0 to 30 molal.

The FactSage module Equilib is able to access the OLI Databank and perform routine equilibrium calculations.

The link requires both OLI Stream Analyzer and FactSage be installed on the same PC. The OLI Systems interface software is supplied through OLI Systems, Inc. For detailed information on the interface including sample calculations click on FactSage and the OLI Databank.


METSIM - FactSage Link

METSIM. is a Chemical Processing simulator that consists of generic unit operation modules with chemistry and process controls can quickly model complex flowsheets for mass and energy balances. Empirical, equilibrium, kinetic or other data can be added in tabular or equation form to tune the model to accurately predict process performance. Once steady state models are functioning, they can be converted to dynamic models for complete process analysis.

METSIM is currently being used worldwide by hundreds of companies to model a wide range of chemical and metallurgical processes. It is particularly well-suited for modeling complete hydrometallurgical and pyrometallurgical plants. Using METSIM's thermodynamic database, heat balances can be calculated with ease. Output includes the total heat for each unit operation. METSIM calculates heat losses from furnaces based upon dimensions and heat transfer coefficients.

A link between METSIM and FactSage has been developed that employs Equilib Macro Processing. The link enables METSIM to access the FactSage databases and perform equilibrium calculations just like a regular Equilib calculation. The link requires both METSIM and FactSage to be installed and running on the same PC.

The METSIM - FactSage Link is still under development. It is currently being tested on modeling the Teck Cominco CDF (Continuous Drossing Furnace) that include FactSage Equilib calculations involving multicomponent multiphase alloy, matte, slag, solid and gas equilibria.


Database Development and other Consulting Services

- under development -

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Latest modifications : February 14, 2017