ChemSheet - Materials and Process Chemistry

Future models in process chemistry will increasingly be based on a multi-component, multi-phase Gibbs energy approach. ChemSheet is the foremost pioneer in Gibbs’ian process modelling. Taking advantage of unique immaterial constraints, ChemSheet handles reaction rate controlled chemical systems, multi-phase membrane systems, complex materials with surface phases, and much more. For example, in the multicomponent chemical theory of fibre suspensions, which combines the effects of ion exchange, Donnan theory, complex formation and precipitation/dissolution equilibria, the pH chemistry of pulp suspensions can be quantitatively interpreted. This opens possibilities for the use of simulation models for pulp and papermaking processes. ChemSheet capabilities can be combined into other software like the APROS, BALAS and KilnSimu, specialised in multi-phase rotary drums. ChemSheet is developed and owned by VTT and GTT-Technologies.

Chemsheet modelling is performed in various industry sectors and applications. ChemSheet is used for solving problems featuring the material choice, chemistry and the use of energy in complex practical systems. Some examples of the industrial applications of ChemSheet are listed below:

  • Nuclear and energy engineering
  • Fuel cell modelling
  • Chemical reactor design, including scale-up and safety
  • Dosage of chemicals in pulp bleaching and papermaking
  • Environmental processing and effl uent control
  • Biofuel boiler design
  • Design of pyro- an hydrometallurgical processes
  • Inclusion control of steelmaking
  • Surface science and material properties
  • Reduction of carbon dioxide emissions

Key benefits
ChemSheet is a simulation tool that combines the fl exibility and practicality of spreadsheet operations with rigorous, multi-phase thermodynamic computation. Customised applications are defi ned as independent worksheets in Excel and simulation are run directly from the spreadsheet application
taking advantage of its functional aspects and graphical features. The models are connected to the
thermochemical calculation routines through a plug-in component, which is created and maintained with a userfriendly dialog. When developing applications, writing macro-codes within the spreadsheet interface is helpful but for those who do not like programming, the custom made ChemSheet simulation model may appear as just another Excel fi le. ChemSheet was the pioneer of creating such a flexible interface to a scientific program, which since has become a must in the field.

Beginning with the additions of reaction constraints realised by the RateMixTM algorithm, VTT has pioneered in applying immaterial constraints to conventional Gibbs energy minimization. Within the international ChemSheet community a whole family of new multidisciplinary methods have emerged, their scope covering both practical engineering solutions and new developments in frontier sciences. Applications range from surface phenomena to high temperature material processing, from conventional process chemistry to environmental and geosystems as well as from the pH chemistry of pulp suspension to biochemical solutions.