Nature-inspired chemical process design means that knowledge gained from studies of nature is transported or converted into designs of chemical process units. The year in the Centre of Advanced study was thus devoted to both issues.

As a natural process of energy conversion, we chose to study the structure and function of the Ca-ATPase from sarcoplasmic reticulum. This is an ion pump in nature, which runs on chemical energy, and converts this to osmotic energy. The man-made power producing unit of interest, was the polymer electrolyte fuel cell. This cell burns fuel in oxygen to create electrical energy. The human lung was studied as an efficient natural flow system for oxygen.

Both systems were studied from a molecular as well as overall performance level. Common to both problems is the issue of energy conversion, and in particular the dissipation (loss) of energy in the process. Biological systems perform often rather efficiently, and we wanted to know why and how this is so in our examples. On the other hand, we also set out to use information on dissipated energy, to help increase the efficiency of the fuel cell.

The biological pump was studied from three perspectives. Colleagues in quantum mechanics studied the structure at the binding sites. The people doing molecular dynamics simulation studied transport of heat and ions. The different parts were tied together by a non-equilibrium thermodynamic theory, investigated by yet some other members. Likewise, we studied molecular processes in the fuel cell, in particular the gas access to the electrodes. A main effort went in to optimize the structure of the catalyst layer in the cell. All subgroups devoted time to method developments.

The efforts during the year, led to the following breakthroughs:
• New methods in quantum mechanics were developed, which can improve the famous density functional theory, now in use.
• A new formulation of active transport was developed, that include an explanation of thermogenesis.
• First evidence was found for water polarization in a temperature gradient.
• A first model of the breathing of the reindeer was set up.
• The performance of the human lung was understood in terms of its structure and energy dissipation.
• A solution was found for the structure of the optimal catalyst in the fuel cell.
• A relation was proven between the heat of transfer and the enthalpy.