Predictive scalability of processes


Predictive scalability of processes in fine chemical and pharmaceutical manufacturing

When: 29th November 2018, 10.00-17.00.

Where: GSK, Stevenage.

Overview: Scale-up of complex organic and bio-catalytic processes remains a significant challenge due to low observability of state variables and, frequently, absence of mechanistic models of the reactions. A raft of new tools is emerging in this topic, relating to increased observability (new sensor methods), development of ‘good-enough’ black box models based on machine learning approaches, new kinetic methods, new methods in design of experiments and development of process models, as well as the increased understanding in physical organic chemistry and computer-aided molecular design.

This event is aimed at practitioners in the field, industrial and academic method developers as a networking and research agenda-setting event: what is the state-of-the-art, what research challenges are emerging as a result of developments in the neighbouring fields (robotics, AI, machine learning, systems biology, synthetic biology, high throughput analytics, novel business models for manufacturing, new feedstocks, etc), where is progress required? The event will result in a white-paper and should stimulate future research proposals and collaborative research projects.

Registration for the event is open here.

Scientific and organising committee: Richard Bourne (Leeds), Alexei Lapkin (Cambridge), Federico Galvanin (UCL), Robin Attrill (GSK).

Draft Programme

10:00 arrival, registration, tea/coffee

10:30 Introduction

Theme 1: Molecular modelling for process design

10:45-11:15 ‘Computer-aided molecular design’. Tbc

11:15-11:45 ‘From Molecules to Reactors: Methods, Applications and Opportunities for Catalytic Process Design’ – Dr Michail Stamatakis, UCL

11:45-12:15 ‘Development and application of numerical simulation and optimization techniques for improved design and operation of complex reaction systems’ – Dr Federico Galvanin, UCL


12:30-13:30 Lunch, Networking


Theme 2: Tools and methodologies

13:30-14:00 ‘Rapid Development of Processes using Automated Flow Reactors and Machine Learning Algorithms’ -Dr Richard Bourne, University of Leeds

14:00-14:30: ‘A systematic function-based approach to optimal reactor and process design’- Prof. HannsjörgFreund, Friedrich-Alexander-Universität Erlangen-Nürnberg

14:30-15:00 Prof. Peter Neubauer, Technische Universität Berlin: title tbc.

15:00-15:30 Coffee break

Theme 3: Implementation. Automation and scaling. Continuous processes. Mixed batch-continuous.

15:30-16:00 Flavien Susanne, GSK: title tbc

16:00-16:30 AZ, tbc

16:30 Facilitated summary discussion

17:00 Close of meeting