Very high pressure virtual measurements

"This measurement problem relates to improving the efficiency and reducing the emissions of diesel engines.

Tests at high pressure to determine what is happening in various processes such as in a diesel engine are very difficult, expensive and time consuming. Pressures can exceed 3,000 bar (more than the deepest ocean trench) and questions remain about the processes which determine what creates deposits and emissions, e.g. CO2, NOx, Particulates, etc. in the critical early stages of operation. As well as exercising extreme safety awareness, R&D in this area is very difficult and slow but success could be a massive improvement to both the environment and commercial returns. This project proposal is highly novel because it proposes to bring state-of-the-art simulation techniques and power to the problem because high pressure (and temperature) virtual measurements are much quicker, safer and easier to perform and interpret than real ones.

A major difficulty is that the myriad of components (including additives) in a fuel all have different solubility relationships with temperature and pressure. We estimate that the improvements we are aiming at would produce new products, such as new additives, but, doing it the conventional way, the time would be in excess of five years. We suggest that virtual molecular measurements of such systems are both possible and tractable. The computing expertise, power and time puts it beyond the reach of LST at the moment but it ideally suited to the capabilities of the Hartree Centre. The sum of simulation and testing loops should dramatically shorten the development time."