Computational Models of Thermal Cycling in Chemical Systems

Computational models of chemical systems provide clues to counterintuitive interactions and insights for new applications. We have been investigating models of chemical reaction systems under forced, thermal cycling conditions and have found that some hypothetical processes generate higher yields under thermal cycling than under single, fixed temperature conditions. A simple kinetic model of an actual process, the two-temperature polymerase chain reaction that replicates DNA, is used to simulate the important features of a chemical system operating under thermal cycling. This model provides insights into the design of other chemical systems that may have important applications in chemistry, biochemistry and chemical engineering.