​Nanoporous solids are used as adsorbents in pollution control, desalination, industrial separations, storage of fluids and catalysis. Simulations can be used to assist in the design of better materials, and to understand the nature of the adsorption and transport processes. Some of the key factors determining flow of fluids through nanopores is their stick or slip behaviour near the walls and the diffusion of ions and molecules close to the walls of nanopores. New algorithms for simulations of this behaviour have recently been developed in our group and others. Students projects in this area will carry out simulations of process of applicability to the fields of energy and environment research. A background in chemical engineering, chemistry, physics or computer science would be desirable.

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bernhardt group, nanoporous, computer science, energy, environment, chemical engineering, chemistry, physics, 

Supervisor name

Professor Debra Bernhardt
Senior Group Leader
Bernhardt Group

Supervisor email