Kinetic Modeling of Chemical Reactions

Combining Kinetic Modeling and Data-Rich Experimentation to Streamline Chemical Process Development

In this webinar, Dr. Charles Gordon and Dr. Daniel Hallow of Scale-up Systems discuss the value of kinetic modeling for chemical reactions, and outline the ease of collecting data and building models with modern instrumentation and software.

Industrial case studies are presented that illustrate how combining data-rich experimentation with reaction modeling can reveal new insights on the reaction mechanism and greatly increase process understanding. These case studies further show how this heightened process knowledge can address the reaction process design, optimization and scale-up challenges that arise in early to late-stage development of chemical processes.

This talk discusses combining data-rich experimentation and kinetic models to realize benefits, including:

  • Maximizing the value of every experiment
  • Driving the culture to adapt new tools and practices
  • Leveraging technology to be agile and remain competitive
  • Reduce risk during technology transfer and scale-up

About the Presenters

Dr. Daniel Hallow

Scale-up Systems, METTLER TOLEDO

Dan received his PhD in Chemical Engineering with Prof. Mark Prausnitz at the Georgia Institute of Technology. He subsequently joined the Chemical Development department at Bristol-Myers Squibb where his worked focus on reaction science and the development of small-molecule processes. While at Bristol-Myers Squibb, Dan also served as adjunct professor at the New Jersey Institute of Technology for a course on pharmaceutical reaction kinetics and reactor design. Dan then joined Noramco/Purisys, formerly part of Johnson & Johnson, and was responsible for innovation and technology, including new product development and post-approval process improvements. In 2020, Dan moved to Scale-up Systems and his current position of Principal Consultant on the technical support and training team.

Dr. Charles Gordon

Scale-up Systems, METTLER TOLEDO

Charlie received his PhD in Chemistry from the University of Nottingham, and after postdoctoral research in Germany, Ireland and Northern Ireland took up a lectureship (Assistant Professor equivalent) in Chemistry at the University of Strathclyde, with research interests focusing on the physical organic chemistry of ionic liquids. After several years in the academic sector, he moved into the pharmaceutical industry as a reaction engineer in Chemical Research and Development at Pfizer in Sandwich. There among other responsibilities Charlie became one of the departmental leads for kinetic modelling, and in the use of automated lab reactor and PAT systems for supporting process understanding for scale-up and technology transfer. In 2011 he moved into the consultancy sector to work for Britest, in a role that encompassed training and facilitation to support process scale-up and technology transfer across the pharmaceutical, fine and speciality chemicals sectors. Finally in early 2020 Charlie moved to his current position of Principal Consultant with Scale-up Systems, where he leads technical support and training of kinetic modelling using the Reaction Lab software package.