Physical Model Construction

Abstract

Physical models of reacting systems aim to generalise experimental observations and mechanistic process understanding solely through the application of chemical kinetics principles and without the incorporation of any data-driven approaches. At this chapter’s core are the fundamental concepts of the mass-action law and pseudo-steady-state hypothesis, the application of which is exemplified through the derivation of both chemical and biochemical kinetic models. In virtue of its indispensable role during model development, deterministic optimisation theory is also introduced to illustrate the formulation and solution of constrained optimisation problems, with particular focus on nonlinear parameter estimation problems. This lays the theoretical foundation for model construction methodologies explored in latter chapters.