Applications of eScience to interfacial chemistry

The UK eScience initiative has undertaken the unenviable task of providing the scientist<br/>with computational tools to enhance the way in which science is performed.<br/><br/>In this work, the experimental measurement of polarisation dependent reflectance<br/>second harmonic generation at the air/liquid interface was examined and tools produced<br/>to aid the process. All stages of the process are considered, the experimental stage, the<br/>data workup and publication of results.<br/><br/>Specifically covered were tools for remote monitoring and control of the experiment,<br/>automated archival and retrieval of raw data, and automated processing of data and<br/>handling of these derived results.<br/><br/>The tools were then used to investigate the behaviour of the laser dye Rhodamine<br/>6G at the air/water interface. The ease and reliability of recall of data afforded by the<br/>tools caused concerns to be raised about the repeatability of the experiment, and hence<br/>the surface of pure water samples was also examined. The water data confirmed the<br/>acceptable bounds of the experimental results showing the Rhodamine 6G behaviour<br/>did not follow the accepted model for bulk concentration of around 1 ? 10?5 mol dm?3<br/>but did conform to the model at other concentrations.

Name dc:type.qualificationname

Ph.D.

Level dc:type.qualificationlevel

doctoral

Grantor dc:publisher.institution

University of Southampton

Year dc:date.issued

2009

Author dc:creator

• Robinson, Jamie

Advisor dc:contributor.advisor

• Frey, Jeremy G.