Photo of Alexander O'Malley

Alexander O'Malley

Dr

  • 4 SOUTH 0.11

Accepting PhD Students

20132019
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Personal profile

Research interests

My research is focused on the study of microporous materials, and the behaviour of molecules confined within them.

Microporous materials (particularly those based on zeolites) are all around us. They have applications ranging from water decontamination all the way through to catalysts in the petrochemical industry. However, the most interesting and important processes happen within their pores. This makes studying, designing and optimising these materials for each application far from easy!

To build a detailed picture of how molecules behave in these fascinating materials, we need to employ a range of techniques from the molecular scale up to the macroscale. Fortunately, between experiment and molecular modelling some very powerful combinations exist.

These include:

  • Quantum mechanical calculations in combination with vibrational spectroscopy (both optical and neutron scattering based) to study the molecular scale (active site interactions, local motions etc)
  • Classical simulations combined with techniques such as quasielastic neutron scattering to probe behaviour on the nanoscale (diffusion, rotation)
  • Techniques such as PFG-NMR and gravimetric sorption to probe transport on larger scales, which may be complemented with coarse-grained models

 

Current research projects include the multiscale study of molecular behaviour in systems relevant to:

  • Catalysis for fuels/chemicals (methanol-to-hydrocarbons, fluid catalytic cracking)
  • Catalysis for the environment (NOx abatement)
  • Controlled release of drug molecules from microporous hosts
  • Decontamination of water using zeolites synthesised from natural clay minerals 

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 3 Similar Profiles
Microporous materials Chemical Compounds
Zeolites Chemical Compounds
Decontamination Chemical Compounds
Neutron scattering Chemical Compounds
Catalysis Chemical Compounds
Molecules Chemical Compounds
Fluid catalytic cracking Chemical Compounds
Vibrational spectroscopy Chemical Compounds

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Research Output 2013 2019

Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study

O'Malley, A. J., Sarwar, M., Armstrong, J., Catlow, C. R. A., Silverwood, I. P., York, A. P. E. & Hitchcock, I., 7 May 2018, In : Physical Chemistry Chemical Physics. 20, 17, p. 11976-11986

Research output: Contribution to journalArticle

Open Access

Comprehensive Vibrational Spectroscopic Characterization of Nylon-6 Precursors for Precise Tracking of the Beckmann Rearrangement

Chapman, S., O'malley, A. J., Parker, S. F. & Raja, R., 12 Oct 2018, In : ChemPhysChem. p. 1-9 9 p.

Research output: Contribution to journalArticle

Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5

Nastase, S., O'Malley, A., Catlow, C. R. A. & Logsdail, A., 21 Dec 2018, In : Physical Chemistry Chemical Physics . 21, 5, p. 2639-2650 11 p.

Research output: Contribution to journalArticle

Investigation of the Dynamics of 1-Octene Adsorption at 293 K in a ZSM-5 Catalyst by Inelastic and Quasielastic Neutron Scattering

Hawkins, A., O'Malley, A. J., Zachariou, A., Collier, P., Ewings, R., Silverwood, I. P., Howe, R., Parker, S. F. & Lennon, D., 13 Dec 2018, In : Journal of Physical Chemistry C. 123, 1, p. 417-425

Research output: Contribution to journalArticle

2 Citations (Scopus)

The effects of MTG catalysis on methanol mobility in ZSM-5

Matam, S. K., O'Malley, A. J., Catlow, C. R. A., Suwardiyanto, S., Collier, P., Hawkins, A. P., Zachariou, A., Lennon, D., Silverwood, I., Parker, S. F. & Howe, R. F., 7 Jul 2018, In : Catalysis Science and Technology. 8, 13, p. 3304-3312

Research output: Contribution to journalArticle

Open Access