gCRYSTAL module features

The gCRYSTAL® modules of gPROMS FormulatedProducts provide a range of advanced process modelling features and capabilities that benefit users of all levels.

At a glance

Key characteristics:
FunctionalityEase of use
  • Steady-state & dynamic
  • Robust handling of solution and dissolution
  • Estimation & optimisation
  • Vapour/liquid/solids process sections
  • Sensitivity and uncertainty studies
  • Risk management
  • CFD integration
  • Intuitive, easy to use interface
  • Project tree and model hierarchy
  • Drag and drop flowsheeting
Comprehensive solution Cost effective
  • Customisable solutions
  • Bespoke model development
  • Knowledge transfer
  • Free standard training for commercial clients
  • Low cost support and maintenance service
  • Integrated and interoperable software environment
  • Incorporate legacy models and codes

 

Full feature list

Model Library capabilities

 
ComponentFeatures
Mixing description
  • well-mixed (MSMPR)
  • plug-flow crystallizer
  • coupled gCRYSTAL/CFD
Components
  • any number of liquid phase species
  • multiple solid phases
  • different polymorphs, solvates/hydrates, enantiomers and/or chemical species
Supersaturation generation
  • cooling
  • flash-cooling
  • evaporative 
  • reaction
  • anti-solvent
  • combinations of the above
Mechanisms
  • primary and secondary nucleation [activated and attrition]
  • growth and dissolution
  • agglomeration
  • liquid-phase reactions
Characterisation of PSD
  • number / volume densities
  • volume fractions
  • quantiles

 

Features

 
ComponentFeatures
Simulation type
  • Steady-state
  • Dynamic
  • Same models and interface for both simulation types
Flowsheeting
  • Drag-and-drop graphical flowsheeting
  • Example flowsheets
    • API seeded batch cooling
      • Model configuration and simulation
      • Model validation
      • Process optimisation
    • Measured PSD as input
    • Polymorphic transformation of L-glutamic acid
    • Anti-solvent
    • Batch-to-continuous
Custom modelling
  • gPROMS platform programming language and interface
  • Ready-made templates
  • Fast-track block equation builder
 
Phases
  • Solids
  • Liquid
  • Vapour
Physical properties
  • Built-in physical properties
  • InfoChem MultiFlash physical properties
  • Link to CAPE-OPEN physical properties packages
  • Interfacing to in-house physical properties packages
Advanced parameter estimation
  • Model validation
    • Multiple parameter estimation [internal model validation]
    • External model validation
  • Steady-state experiments
  • Dynamic experiments
  • Extensive statistical analysis
  • Enhanced visualisation of results [overlays, parity plots, etc.]
  • Example templates are provided
Advanced optimisation
  • Steady-state optimisation
  • Dynamic optimisation
  • Mixed integer optimisation (MIO)
Experiment design
  • Targeted experimentation
  • Derive optimal experiment procedure based on current parameter values.
CFD interfacing
  • Hybrid Multizonal connection to CFD
Operation modes
  • Continuous
  • Batch, Semi-batch
  • Start-up, shut-down
  • Recycles
 
Results management tools
  • Reports
  • Tables
  • Plots
  • Variable trajectories
  • Easy export to CSV/Excel
 
Solvers
  • Equation-based/simultaneous solvers
  • Efficient handling of large number of equations
  • Variable time-step
 

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