SEARCHProcess Chemometrics
Course Description
Some of the most profitable uses of chemometrics technologies to date have been in the process environment. The combination of process chemometrics with analytical techniques is now commonly referred to as Process Analytical Technology (PAT). However, this application area involves some unique considerations, including regulatory compliance, on-line model deployment logistics, and model performance monitoring. Process Chemometrics is designed to familiarize the student with the various chemometrics tool and other associated tools that are needed for effective PAT applications. Deployment software demonstrations and PAT case studies will be used to help illustrate the course material. The course includes hands-on computer time for participants to work example problems using PLS_Toolbox and MATLAB.
Prerequisites
Chemometrics I–PCA and Chemometrics II–Regression and PLS or equivalent experience.
Course Outline
- Background
The typical PAT “Project Timeline”
Administrative and Interpersonal Issues - Review of Chemometrics Tools for PAT
Design of Experiments (DOE)
Exploratory Analysis methods (PCA, MCR)
Model Building Methods
The NEW Model Robustness Tool - Chemometrics in Exploratory PAT
Goals: product and/or process development; scale-up
Case Studies - Chemometrics to support PAT in Manufacturing
Sampling issues, calibration protocols
Cleaning “messy” data
Developing and Optimizing Models
Validating and Testing Models (QA)
Model updating: “augment, or replace?”
Calibration Transfer/Instrument Standardization - Model Deployment Logistics
Review of Different Deployment Scenarios/”Landscapes”
Enabling IT Technologies
DCS Integration Issues
Organizational and Compliance Issues in Deployment
Deployment Solutions
Implementation Checklists
Documentation, and Database management - 6. Examples
On-line deployment demos
Case Studies