Login / Signup

Non-equilibrium Steady States in Catalysis, Molecular Motors, and Supramolecular Materials: Why Networks and Language Matter.

Ivan AprahamianStephen Michael Goldup
Published in: Journal of the American Chemical Society (2023)
All chemists are familiar with the idea that, at equilibrium steady state, the relative concentrations of species present in a system are predicted by the corresponding equilibrium constants, which are related to the free energy differences between the system components. There is also no net flux between species, no matter how complicated the reaction network. Achieving and harnessing non-equilibrium steady states, by coupling a reaction network to a second spontaneous chemical process, has been the subject of work in several disciplines, including the operation of molecular motors, the assembly of supramolecular materials, and strategies in enantioselective catalysis. We juxtapose these linked fields to highlight their common features and challenges as well as some common misconceptions that may be serving to stymie progress.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • aqueous solution
  • autism spectrum disorder
  • single molecule
  • water soluble
  • machine learning
  • network analysis