Forced and natural wetting on non-uniform surfaces: overcoming obstacles to predictive modelling

Lead Research Organisation: University of Leeds
Department Name: Mechanical Engineering

Abstract

The purpose of the proposed research is to realise the burgeoning potential of exciting mesoscopic and multiscale modelling techniques to address industrially and fundamentally important fluid flow problems that have hitherto eluded all attempts at practically useful, predictive modelling. The primary focus is on the forced wetting of 'real' solid surfaces, i.e. those exhibiting roughness, porosity and/or chemical heterogeneity - a class of flows that is enormously important in the coating and printing industries, among many other applications. The vision for the proposed project is to address current obstacles to the successful application of mesoscopic modelling to such flows, and thereby to deliver a fundamental change in process modelling capabilities, permitting for the first time the accurate prediction of the influences of given surface morphologies and properties on the performance of the wetting process, and the impact upon the end product. Success in this project will also lead to a better understanding of the capabilities of mesoscopic modelling, yielding benefits in a wide range of applications, from microfluidic devices to enhanced oil recovery and carbon dioxide sequestration, and providing the means to perform detailed proof-of-concept simulations for new technologies.
 
Description This project has established a computational method for predictive modelling of how liquids wet real (i.e. rough or chemically non-uniform) solid surfaces under both 'natural' conditions (such as a droplet spreading on a surface) and 'forced' conditions (like an industrial coating process, where a solid surface is driven into a body of liquid). This class of fluid flows is important in a wide range of applications including coating and printing, enhanced oil recovery, oil/water separation technologies, and microfluidic systems. However, such flows are notoriously difficult to model, principally because of the complex behaviour of the contact angle (the angle that the liquid free surface makes with the solid surface) under dynamic conditions. Simulations often rely on experimental values of the dynamic contact angle, which means that the benefits of simulation in terms of optimisation and fundamental exploration cannot be fully realised. The modelling framework used for the 3D simulation in this project is the lattice Boltzmann method, which is well suited to surfaces with complex features. Several different models for multiphase flow have been explored and evaluated, along with different boundary conditions and approaches for capturing the wettability of surfaces. These all require only a static contact angle to be measured, and the dynamic behaviour evolves as part of the simulation. An important outcome of this project is a link between wetting behaviour and surface characterisation parameters obtained from surface metrology techniques. The computational framework has been developed to enable digitised roughness maps of real surfaces to be included in 3D simulations, allowing the movement of the three-phase contact line to be explored, and deposited droplet footprints to be predicted and understood - the latter is particularly important in printing and associated additive manufacturing techniques. A simple, convenient model of spreading behaviour based on surface characterisation parameters has also been produced and published. The computer code implementing the full 3D simulation approach has been parallelised and shown to exhibit very good scalability on large numbers of processors, allowing high-resolution simulations to be conducted using high-performance computing systems.
Exploitation Route The research has explored wetting of complex surfaces, and established a means of modelling this phenomenon. It is therefore of direct relevance to industrial research into enhanced oil recovery, where wetting, and particularly modification of wettability, is of crucial importance. This computer simulation code established in this project is now being used - and further developed - in other research projects, including a large EPSRC Programme Grant 'Innovation in Industrial Inkjet Technology' and an industrially funded project exploring filtration systems. The code is also being applied to enhanced oil recovery and oil and gas flow assurance.
Sectors Chemicals,Energy,Environment,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology

 
Description This computer simulation code established in this project has been used - and further developed - in other research projects, including a large EPSRC Programme Grant 'Innovation in Industrial Inkjet Technology' and an industrially funded project exploring filtration systems. The code is also being applied to enhanced oil recovery and oil and gas flow assurance.
First Year Of Impact 2010
Sector Chemicals,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology
 
Description EPSRC
Amount £5,019,315 (GBP)
Funding ID EP/H018913/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 02/2010 
End 07/2015
 
Description EPSRC High-End Computing Consortia
Amount £397,424 (GBP)
Funding ID EP/L00030X/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 06/2013 
End 05/2018
 
Description EPSRC Industrial CASE Award
Amount £92,000 (GBP)
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 10/2015 
End 03/2019
 
Description EPSRC call: Future Formulation of Complex Products
Amount £2,270,560 (GBP)
Funding ID EP/N025245/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 07/2016 
End 06/2020
 
Description Parker Hannifin Plc
Amount £150,000 (GBP)
Funding ID PH-PhD1 
Organisation Parker Hannifin Corporation 
Department Parker Hannifin Plc
Sector Private
Country United Kingdom
Start 10/2012 
End 09/2015