Dr Leo Lue
Reader
Chemical and Process Engineering
Area of Expertise
My main areas of research are modelling solution thermodynamics (e.g., developing mathematical descriptions phase behaviour), transport phenomena (e.g., heat and mass transfer calculations), and statistical mechanics (relating the bulk behaviour of a system to the structure and interactions of its constituent molecules). The range of projects that I have been involved with are quite broad, ranging from the fluid mechanics of vented runaway reactors (supported by the European Commission, contract no. C1RD-CT-2001-00499), and thermodynamic modelling of produced-water/crude-oil mixtures (supported by Shell and STATOIL), to developing and studying surfactant specific electrodes (EPSRC, GR/R41965/01) and modelling the fundamental behaviour of polyelectrolyte fluids and the influence of membranes on protein stability (BBSRC, GR/B17005).
Currently I am leading a KTP project with Pentagon Chemicals Ltd on developing a new process for the production of an intermediate feedstock chemical. This encompasses the full spectrum of process development from laboratory work characterising catalyst performance to designing for production on an industrial scale.
Publications
- Anomalous heat transport in binary hard-sphere gases
- Moir Craig, Lue Leo, Gale Julian D, Raiteri Paolo, Bannerman Marcus N
- Physical Review E Vol 99 (2019)
- https://doi.org/10.1103/PhysRevE.99.030102
- Molecular dynamics investigation of the influence of the hydrogen bond networks in ethanol/water mixtures on dielectric spectra
- Cardona Javier, Sweatman Martin B, Lue Leo
- Journal of Physical Chemistry B Vol 122, pp. 1505-1515 (2018)
- https://doi.org/10.1021/acs.jpcb.7b12220
- A diagrammatic analysis of the variational perturbation method for classical fluids
- Lue Leo
- Soft Matter Vol 14, pp. 4721-4734 (2018)
- https://doi.org/10.1039/C8SM00676H
- Application of the functional renormalization group method to classical free energy models
- Lue Leo
- AIChE Journal Vol 61, pp. 2985-2992 (2015)
- https://doi.org/10.1002/aic.14868
- Depletion forces due to image charges near dielectric discontinuities
- Curtis Robin A, Lue Leo
- Current Opinion in Colloid and Interface Science Vol 20, pp. 19-23 (2015)
- https://doi.org/10.1016/j.cocis.2014.12.001
- The cluster vapor to cluster solid transition
- Sweatman Martin B, Lue Leo
- Journal of Chemical Physics Vol 144 (2016)
- https://doi.org/10.1063/1.4948784
Teaching
I have taught a broad range of modules across the Chemical Engineering curriculum, both at the undergraduate and postgraduate levels. My main teaching duties have been focused on the "core" of Chemical Engineering: transport phenomena, chemical and process thermodynamics, and design.
Currently taught modules:
- CP213 Applied Mathematics and Problem Solving
- CP407 Chemical Engineering Design
- CP535/970 Molecular and Interface Science
- CP540 Project Planning, Management, and Methods
- 18530 Chemical Engineering Project
Previously taught modules
- Ethics and Sustainability
- Nanotechnology
- Problem Solving
- Fluid Flow and Heat Transfer
- Chemical Engineering Practice 1
- Programming and Optimisation
- Chemical Thermodynamics
- Momentum, Heat, and Mass Transfer
- Modelling and Simulation
Research Interests
My research group uses statistical mechanics to understand and predict how the overall properties of a system, such as its dynamics or structure, are determined by the interactions between its constituent components. These systems can range from normal fluids composed of simple molecules to complex structured fluids, such as found in biological systems or many consumer and personal care products, where the constituent molecules can assemble to form intricate structures which can again organize to form larger structures. I am also interested how collisions between granules in a powder affects its overall structure and flow, such as in avalanches or pattern formation in sand dunes, and how bubble stability and interactions lead to the properties of foams. Currently, the interests of the group are focused on the role of electrostatics and its coupling to dispersion forces on the interactions and dynamics of colloidal particles (e.g., proteins, polyelectrolytes, micellar aggregates, etc.). A better understanding of the link between microscopic characteristics and macroscopic properties should allow the rational design of new materials and better prediction and control of the behavior of processes.
I use a combination of theory and computer simulation techniques to tackle these problems. The theoretical approaches range from integral equation and density functional theories, field theoretic methods, to classical solution thermodynamics and transport modeling. The simulation methods include non-equilibrium molecular dynamics and advanced Monte Carlo methods, as well as continuum modeling through finite difference and finite element methods.
Professional Activities
- External examiner of PhD dissertation - Mr Odin Kvam, "Molecular modelling approaches to phase equilibria in facilitated transport membranes", School of Engineering, University of Edinburgh
- Examiner
- 28/10/2020
- Particle vs field view of classical systems: Towards a theory of cluster formation
- Speaker
- 13/11/2019
- External examiner of PhD dissertation - Mr Xiao Liang, "Event-driven simulation of soft dissipative potentials", School of Engineering, University of Aberdeen
- Examiner
- 7/8/2019
- SPIE Optical Metrology
- Participant
- 24/6/2019
- Estimation of concentration and particle size distribution in colloidal suspensions via spatially and angularly resolved diffuse reflectance measurement
- Contributor
- 27/2/2019
- Effects of particle size distribution and concentration on UV-vis-NIR spectra
- Contributor
- 2/10/2018
Projects
- DTP 2224 University of Strathclyde | MacPherson, Zoe
- Jorge, Miguel (Principal Investigator) Lue, Leo (Co-investigator) MacPherson, Zoe (Research Co-investigator)
- 01-Oct-2023 - 01-Apr-2027
- DTP 2224 University of Strathclyde | Paterson, Thomas
- Lue, Leo (Principal Investigator) Li, Jun (Co-investigator) Paterson, Thomas (Research Co-investigator)
- 01-Oct-2022 - 01-Apr-2026
- Doctoral Training Partnership 2020-2021 University of Strathclyde | Sait-Stewart, Robert
- Li, Jun (Principal Investigator) Lue, Leo (Co-investigator) Sait-Stewart, Robert (Research Co-investigator)
- 01-Oct-2021 - 01-Jun-2025
- Foam Improved Oil Recovery: Effects of Flow Reversal
- Lue, Leo (Principal Investigator) Grassia, Paul (Co-investigator)
- 01-Aug-2021 - 31-Dec-2023
- Unravelling anomalous mass and heat transport in miscible liquids (New Horizons)
- Cardona Amengual, Javier (Principal Investigator) Lue, Leo (Co-investigator) Nordon, Alison (Co-investigator) Tachtatzis, Christos (Co-investigator)
- 20-Jul-2021 - 15-Oct-2022
- PhD Project | Mechanisms of tar and char formation during the supercritical water gasification of biomass for hydrogen production
- Li, Jun (Principal Investigator) Lue, Leo (Co-investigator) Carruthers, Andrew (Research Co-investigator)
- Externally Funded PhD Studentship
- 01-Feb-2021 - 31-Jan-2024
Contact
Dr
Leo
Lue
Reader
Chemical and Process Engineering
Email: leo.lue@strath.ac.uk
Tel: 548 2470