Unmasking the hidden thermodynamic forces driving chemical reactions

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Source: © Guanqi Qiu/Max-Planck-Institut für Kohlenforschung

Model links reaction energy to activation energy

What determines how reaction rates respond to thermodynamic driving forces? And why do some reactions speed up dramatically with slight changes in driving force, while some others appear much less responsive? Hoping to answer questions like this, theoretical chemists in Germany have introduced a new framework to model the reactivity landscapes of chemical reactions.

Understanding the role of external factors in chemical reactions is central to theoretical and experimental chemistry research. Gaining deeper insight into these factors can help chemists steer reactions toward desired products, maximise yields and limit unwanted side reactions.

Chemical reactions can be viewed as a continuous search for stability. From a thermodynamic perspective, this stability is measured by Gibbs free energy, and a reaction typically progresses along a path that lowers this energy. However, this path isn’t unique – reactions can evolve through multiple suboptimal configurations depending on external influences.