01
Solubility
Preliminary research and system development
- Analysis of the active pharmaceutical ingredient and suitable solvent for crystallization
- Determination of solubility curves and metastable zone width at different cooling rates
Activities
02
Chemometrics
Development of chemometric calibration models using PAT tools
- Collection of spectrometer data under different concentration and temperature conditions
- Models that continuously estimate dissolved substance concentration from spectral and temperature data
03
Kinetics
Research of crystallization processes
- Collection of data for crystallization kinetic model development
- Definition of process operation and final crystal quality parameters
- Experiments for model validation
04
Control
Crystallization process modelling and control
- Determination of the optimal temperature profile for desired particle-size distribution
- Modelling of the cooling actuator and controller parameter optimization
05
Integration
System integration - software and instrument adaptation
- Control programs for spectrometers and thermostats
- Central server configuration for device access and data acquisition
- Crystallization control software aligned with industrial PAT and GMP practice
06
Diagnostics
Spectrometer and control-system diagnostics
- Selection of equipment variables that affect data quality
- Data collection for diagnostic model development
- Empirical models for predictive diagnostics and alarm generation