Applications of eScience to interfacial chemistry

Abstract

The UK eScience initiative has undertaken the unenviable task of providing the scientist
with computational tools to enhance the way in which science is performed.

In this work, the experimental measurement of polarisation dependent reflectance
second harmonic generation at the air/liquid interface was examined and tools produced
to aid the process. All stages of the process are considered, the experimental stage, the
data workup and publication of results.

Specifically covered were tools for remote monitoring and control of the experiment,
automated archival and retrieval of raw data, and automated processing of data and
handling of these derived results.

The tools were then used to investigate the behaviour of the laser dye Rhodamine
6G at the air/water interface. The ease and reliability of recall of data afforded by the
tools caused concerns to be raised about the repeatability of the experiment, and hence
the surface of pure water samples was also examined. The water data confirmed the
acceptable bounds of the experimental results showing the Rhodamine 6G behaviour
did not follow the accepted model for bulk concentration of around 1 ? 10?5 mol dm?3
but did conform to the model at other concentrations.

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Identifiers

ORCID for Jeremy G. Frey: orcid.org/0000-0003-0842-4302

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