Chemical Physics and Physical Chemistry

Density functional theory of liquids (Assoc. Prof. Cliff Woodward)

We have developed new density functional approaches for complex liquids. In particular polymer fluids and mixtures. Projects include modeling polymers and polymer nanoparticle mixtures, we are interested in studying symmetry breaking and surface phase transitions.

Dynamic phase transitions in forced systems (Assoc. Prof. Cliff Woodward)

We study non-equilibrium thermodynamics in systems undergoing forced diffusion/s. Bifurcation methods applied to non-linear dynamical systems are used to uncover far from equilibrium phase transitions.

Electrostatics in biomolecular systems (Assoc. Prof. Cliff Woodward)

We are developing new approaches to the modeling of electrostatic interactions in proteins and other biomolecules. New expansion methods are being developed to solve Poisson-Boltzmann problems in variable dielectric environments. We use these to study protein-protein interactions for example.

Polymers in random media (Assoc. Prof. Cliff Woodward)

We are beginning a study of polymers in random media, using a combination of non-replica density functional methods and computer simulations. Studies will include capillary phase transitions, and polymer localization as a function of pore size and polymer density.

Simulation methods for complex fluids (Assoc. Prof. Cliff Woodward)

We have developed new simulation methods using novel asymmetric volume fluctuations to model macromolecules in pores and slits. Umbrella sampling methods are being developed to minimize bottle-necks in large systems.

Molecular Motion in Liquids and Solutions under High Pressure
(Assoc. Prof. Ken Harris, Dr Lawrie Woolf)

Ionic liquids

We are examining the transport properties at high pressure of ionic liquids, new materials intended to replace flammable and/or toxic organic liquids in "green" chemical applications. This is being done collaboratively with Dr Mitsuhiro Kanakubo of the Research Centre for Compact Chemical Processes, National Institute of Advanced Industrial Science and Technology (AIST), Sendai, Japan .

Standards for diffusion and viscosity measurements

As part of an on-going collaborative effort with members of the International Association for Transport Properties and others, we are making determinations of the viscosities of certain materials suitable as secondary standards in order to simplify the calibration of industrial viscometers for moderately high viscosities. This includes work at high pressures.

A standard is also required for the determination of self-diffusion coefficients of viscous materials and at temperatures below the current range available for diffusion standards. This is being done collaboratively with Dr Mitsuhiro Kanakubo of the Research Centre for Compact Chemical Processes, National Institute of Advanced Industrial Science and Technology (AIST), Sendai, Japan.

Members of the Chemical Physics and Physical Chemistry Research Group

Academic Staff:

Assoc. Prof. Cliff Woodward (c.woodward@adfa.edu.au) BSc, PhD Syd., Doc Lund.

Visiting Fellows:

Assoc. Prof. Ken Harris (k.harris@adfa.edu.au) BSc PhD Adel. , FRACI, CChem, CPChem, MRSC
Assoc. Prof. Dennis Isbister (d.isbister@adfa.edu.au) BSc, PhD UNSW
Dr Lawrence Woolf BSc W.A., PhD N.E.

Research Collaborators:

With Assoc. Prof. C. Woodward

Dr T. Akesson (University of Lund, Sweden)
Dr J. Forsman (University of Lund, Sweden)
Prof. B. Jonsson (University of Lund, Sweden)
Dr M. Lund (Academy of Sciences, Czech Republic)
Prof. S. Ranganathan (RMC Kingston Ontario Canada)
Dr M. Ullner (University of Lund, Sweden)
Prof. A. Yethiraj (University of Wisconsin)

Ionic liquids

Prof. K. Ibuki (Doshisha University, Kyoto, Japan)
Dr M. Kanakubo (National Institute of Advanced Industrial Science & Technology (AIST), Japan)
Prof. M. Ueno (Doshisha University, Kyoto, Japan)

Viscosity and diffusion standards

Prof. S. Bair (Georgia Institute of Technology, Atlanta, Georgia, USA)
Prof. J. M. N. A. Fareleira (Universidade Técnica de Lisboa, Lisbon, Portugal)
Dr A. Fröba (Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany)
Prof. A. Leipertz (Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany)
Prof. J. P. Martin Trusler ( Imperial College, London, United Kingdom)
Prof. W. A. Wakeham ( University of Southampton, Southampton, United Kingdom)