From Kinetic Theory to Hydrodynamics: re-imagining two fluid models of particle-laden flows
Lead Research Organisation:
University of Edinburgh
Department Name: Sch of Engineering
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
Publications
Reddy M
(2019)
Recasting Navier-Stokes equations
in Journal of Physics Communications
Dockar D
(2019)
Mechanical Stability of Surface Nanobubbles.
in Langmuir : the ACS journal of surfaces and colloids
Wang R
(2023)
Interfacial Adsorption Kinetics of Methane in Microporous Kerogen.
in Langmuir : the ACS journal of surfaces and colloids
Pillai R
(2018)
Dynamics of Nanodroplets on Vibrating Surfaces.
in Langmuir : the ACS journal of surfaces and colloids
Bellomo N
(2022)
Towards a mathematical theory of behavioral human crowds
in Mathematical Models and Methods in Applied Sciences
Eftimie R
(2020)
A kinetic theory approach for modelling tumour and macrophages heterogeneity and plasticity during cancer progression
in Mathematical Models and Methods in Applied Sciences
Datta S
(2021)
Acoustothermal Nucleation of Surface Nanobubbles.
in Nano letters
Perumanath S
(2023)
Contaminant Removal from Nature's Self-Cleaning Surfaces.
in Nano letters
Perumanath S
(2020)
Molecular physics of jumping nanodroplets
in Nanoscale
Mistry S
(2021)
Untangling the physics of water transport in boron nitride nanotubes.
in Nanoscale
| Title | Cavitation bubble collapse |
| Description | Video submitted for ARCHER competition |
| Type Of Art | Film/Video/Animation |
| Year Produced | 2019 |
| Impact | Led to RAEng Research Fellowship by the author. |
| URL | http://www.youtube.com/watch?v=glbb_7P8ePM |
| Title | Front cover of journal: Nanoscale |
| Description | Front cover of journal: Nanoscale |
| Type Of Art | Artwork |
| Year Produced | 2020 |
| Impact | not at this point |
| URL | https://pubs.rsc.org/en/content/articlelanding/2020/nr/d0nr90245d |
| Title | Inside front cover of the journal: Nanoscale |
| Description | Inside front cover of the journal: Nanoscale |
| Type Of Art | Artwork |
| Year Produced | 2020 |
| Impact | Led to a Leverhulme Fellowship by the author |
| URL | https://pubs.rsc.org/en/content/articlelanding/2020/nr/d0nr90240c |
| Description | - We have discovered new behaviour for small scale fluids (such as thin films and droplets) in contact with vibrating surfaces and developed a universal theory to describe them. - We have discovered how gas viscosity behaves in small microscale channel flow problems, and relate that to the frequency of collisions. - We have developed a new theoretical framework for the standard fluid equations to be re-casted and handle more complex fluid dynamics problems. - We have discovered a very high mechanical stability of nanobubbles that rest on solid surfaces, and developed a new theoretical model that predicts it and oscillating bubbles. - We have carried out experiments and simulation of fluid flow through new nanotubes and we now have a better understanding on the effect of wall chemistry on the fluid transport; we developed a new multiscale method that is able to compare with prototype scale membranes in experiments. - We have carried out experiments of charge rejection inside boron nitride nanotubes and determined the mechanisms involved. - We discovered new molecular scale behaviour of how droplets merge to become one single droplet. - We have formulated new kinetic boundary conditions at a liquid-vapor interface to accurately simulate evaporation processes. - We have developed a model for the collective dynamics of tumor-associated macrophages. - We have developed a model for the adsorption dynamics of gas in organic rock. |
| Exploitation Route | - The methods and new science can be used to design breakthrough filtration membranes for water or chemical separation. - The methods and new insights can be used to understand and design problems where rapid drying is required. - The new insights can be used to design self-cleaning surfaces, or understand cloud formation better. - The new insights can be used to improve ultra-sonic cleaning of complex surfaces, drug targeting using ultrasonic frequency, and waste water treatment. - New models can be used to design ultra cooling devices for future processor chips. - New model for tumor-associated macrophages may contribute to the future development of anti-cancer therapies. - New data set and model that describes adsorption in organic rock can now be used for better gas shale reservoir modelling. |
| Sectors | Aerospace, Defence and Marine,Agriculture, Food and Drink,Chemicals,Digital/Communication/Information Technologies (including Software),Energy,Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology |
| Description | - New research findings have been used by Nokia Bell Labs to study cooling membranes for processing chips. - New research findings have been used to explain in-lab prototype membranes for water filtration applications. - New research findings have been used to study shale gas modelling in oil and gas reservoirs. - New research findings have been used to study rarefied gas modelling in photolithography machines. |
| First Year Of Impact | 2020 |
| Sector | Education,Electronics,Energy,Manufacturing, including Industrial Biotechology |
| Impact Types | Societal,Economic |
| Description | Advanced hybrid method for pore-scale simulation of shale gas flows |
| Amount | $2,800,000 (USD) |
| Organisation | King Fahd University of Petroleum and Minerals |
| Sector | Academic/University |
| Country | Saudi Arabia |
| Start | 03/2018 |
| End | 03/2021 |
| Description | Efficient Multi-Scale Engineering Simulations: Dynamic Optimisation of Particle Solvers |
| Amount | £100,000 (GBP) |
| Funding ID | eCSE13-20 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 01/2019 |
| End | 11/2019 |
| Description | Multiscale Simulation of Rarefied Gas Flow for Engineering Design |
| Amount | £449,193 (GBP) |
| Funding ID | EP/V012002/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 01/2021 |
| End | 12/2023 |
| Description | RAEng Chair in Emerging Technologies |
| Amount | £1,300,000 (GBP) |
| Funding ID | CiET1718\54 |
| Organisation | Royal Academy of Engineering |
| Sector | Charity/Non Profit |
| Country | United Kingdom |
| Start | 03/2018 |
| End | 09/2020 |
| Title | A critical assessment of the line tension determined by the modied Young's equation |
| Description | This dataset contains the output data (e.g. contact angle, contact base radius) from all molecular dynamics simulations of water nanodroplets carried out on different surfaces for the following study: https://aip.scitation.org/doi/10.1063/1.5040574 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | not available at this point. |
| URL | http://doi.org/10.7488/ds/2380 |
| Title | Acoustothermal atomization of water nanofilms |
| Description | This data folder contains the output data from all molecular dynamics simulations carried out in this paper: Pillai et al. https://doi.org/10.1103/PhysRevLett.121.104502 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | Led to follow up papers and a Leverhulme Fellowship by one of the authors. |
| URL | http://doi.org/10.7488/ds/2415 |
| Title | Droplet Coalescence is Initiated by Thermal Motion |
| Description | This data folder contains LAMMPS input files for molecular dynamics (MD) simulations and post-processing codes used in the study published in: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.122.104501 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2019 |
| Provided To Others? | Yes |
| Impact | Not available at this point. |
| URL | http://doi.org/10.7488/ds/2488 |
| Title | Forced Oscillation Dynamics of Surface Nanobubbles |
| Description | This data set provides the molecular dynamics simulation results and template LAMMPS setup cases for the research we present in the paper: doi.org/10.1063/5.0028437 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2020 |
| Provided To Others? | Yes |
| Impact | Led to an RAEng Research Fellowship by one of the authors. |
| URL | http://doi.org/10.7488/ds/2937 |
| Title | Knudsen minimum disappearance in molecular-confined flows |
| Description | This database consists of measured self diffusion, mass flow rate and slip coefficient results for gases confined in cylindrical pores with varying confinement, and density (or Knudsen number) obtained from event driven molecular dynamics simulations. The study can be found here: https://doi.org/10.1017/jfm.2022.563[Opens in a new window] |
| Type Of Material | Database/Collection of data |
| Year Produced | 2022 |
| Provided To Others? | Yes |
| Impact | not available at this point |
| URL | http://doi.org/10.7488/ds/3480 |
| Title | Mechanical stability of surface nanobubbles |
| Description | This data folder contains example 2D and 3D cases for the Molecular Dynamics (MD) simulations, including data from post-processing for the results plotted in the paper: Dockar et al. "Mechanical stability of surface nanobubbles". |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | Led to a successful RAEng Research Fellowship by one of the authors. |
| URL | http://doi.org/10.7488/ds/2471 |
| Title | Methane scattering on porous kerogen surfaces and its impact on mesopore transport in shale |
| Description | This data folder contains the normalised mass flow rates measurements obtained using the different scattering kernels, the initialisation files for generating the realistic kerogen surface, and the LAMMPS input files for running the molecular dynamics (MD) simulations. Study can be found here: https://www.sciencedirect.com/science/article/abs/pii/S0016236122001284 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2022 |
| Provided To Others? | Yes |
| Impact | not available at this point. |
| URL | http://doi.org/10.7488/ds/3278 |
| Title | Molecular physics of jumping nanodroplets |
| Description | This data folder contains LAMMPS input files for molecular dynamics (MD) simulations and post-processing codes used in the study: https://doi.org/10.1039/D0NR03766D |
| Type Of Material | Database/Collection of data |
| Year Produced | 2020 |
| Provided To Others? | Yes |
| Impact | Led to a Leverhulme Fellowship by one of the authors. |
| URL | http://doi.org/10.7488/ds/2851 |
| Title | Multiscale simulation of water flow through laboratory-scale nanotube membranes |
| Description | This data folder contains the output data from all molecular dynamics simulations carried out in the following study: https://www.sciencedirect.com/science/article/pii/S0376738818311931?via%3Dihub |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | led to another EPSRC grant, and collaboration with University of Bath. |
| URL | http://doi.org/10.7488/ds/2427 |
| Title | Self-diffusivity of dense confined fluids |
| Description | Diffusion measurements using Event Driven Molecular Dynamics simulations in slit geometries. The parametric space covers confinement, and Knudsen number (or reduced fluid densities) for a rough surface. Study can be found here: https://aip.scitation.org/doi/10.1063/5.0059712 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | not available at this point |
| URL | http://doi.org/10.7488/ds/3111 |
| Title | Shock-induced collapse of surface nanobubbles |
| Description | This dataset contains all the initial molecular configurations required to run some of the LAMMPS molecular dynamics simulations of shock induced collapse of nanobubbles that we present in our study: https://pubs.rsc.org/en/content/articlelanding/2021/sm/d1sm00498k |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | Led to an RAEng Research Fellowship by one of the authors. |
| URL | http://doi.org/10.7488/ds/3096 |
| Description | Collaboration between ASML, Glasgow University and Warwick University |
| Organisation | ASML Holding |
| Country | Netherlands |
| Sector | Private |
| PI Contribution | Multiscale and DSMC flow simulations for the company ASML |
| Collaborator Contribution | Knowledge exchange and description of industrial case studies |
| Impact | This is an industrial knowledge exchange and design project. The outcomes of the software have been tested on flow applications in ASML. |
| Start Year | 2019 |
| Description | Collaboration between ASML, Glasgow University and Warwick University |
| Organisation | University of Glasgow |
| Department | School of Engineering Glasgow |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Multiscale and DSMC flow simulations for the company ASML |
| Collaborator Contribution | Knowledge exchange and description of industrial case studies |
| Impact | This is an industrial knowledge exchange and design project. The outcomes of the software have been tested on flow applications in ASML. |
| Start Year | 2019 |
| Description | Collaboration between ASML, Glasgow University and Warwick University |
| Organisation | University of Warwick |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Multiscale and DSMC flow simulations for the company ASML |
| Collaborator Contribution | Knowledge exchange and description of industrial case studies |
| Impact | This is an industrial knowledge exchange and design project. The outcomes of the software have been tested on flow applications in ASML. |
| Start Year | 2019 |
| Description | Research collaboration with Warwick University and Nokia Bell Labs |
| Organisation | Bell Laboratories |
| Department | Bell Labs Ireland |
| Country | Ireland |
| Sector | Private |
| PI Contribution | - developed molecular insights for interfacial flows for merging, jumping or spreading droplets on a surface |
| Collaborator Contribution | - developed mathematical models that link surface fluctuations with merging and spreading of droplets - developed volume of fluid CFD models to simulate jumping droplets |
| Impact | Paper: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.122.104501 Paper: https://pubs.rsc.org/en/content/articlelanding/2020/nr/d0nr03766d#!divAbstract |
| Start Year | 2018 |
| Description | Research collaboration with Warwick University and Nokia Bell Labs |
| Organisation | University of Warwick |
| Department | Warwick Mathematics Institute |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | - developed molecular insights for interfacial flows for merging, jumping or spreading droplets on a surface |
| Collaborator Contribution | - developed mathematical models that link surface fluctuations with merging and spreading of droplets - developed volume of fluid CFD models to simulate jumping droplets |
| Impact | Paper: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.122.104501 Paper: https://pubs.rsc.org/en/content/articlelanding/2020/nr/d0nr03766d#!divAbstract |
| Start Year | 2018 |
| Description | BBC Scotland Radio interview |
| Form Of Engagement Activity | A press release, press conference or response to a media enquiry/interview |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Public/other audiences |
| Results and Impact | Discussion of recent research outcomes in more layman terms |
| Year(s) Of Engagement Activity | 2018 |
| URL | https://www.bbc.co.uk/news/uk-scotland-edinburgh-east-fife-45471403 |
| Description | Inaugural Lecture |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | Many academics from around Scotland attended this lecture entitled "A World in a Grain of Sand". It sparked many questions and discussions afterwards regarding the history of the research area presented. |
| Year(s) Of Engagement Activity | 2018 |
| URL | https://www.youtube.com/watch?v=8O4crC0w23c |
| Description | Press release from research on bubbles |
| Form Of Engagement Activity | A press release, press conference or response to a media enquiry/interview |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Press release of a recent research of nano bubbles. This research was also published in a journal, with one of our simulations on the front cover. This and the press release led to more than 1000 readers of our paper within the first few months. |
| Year(s) Of Engagement Activity | 2019 |
| URL | https://acs.altmetric.com/details/54020894/news |
| Description | Press release on new research of nano bubbles under vibration |
| Form Of Engagement Activity | A press release, press conference or response to a media enquiry/interview |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Public/other audiences |
| Results and Impact | Press release of new research outcomes in the top journal (Nano Letters); picked up by many blogs, which has received many views at international scale. |
| Year(s) Of Engagement Activity | 2021 |
| URL | https://acs.altmetric.com/details/99343359 |
| Description | Press release on new research of nano droplets |
| Form Of Engagement Activity | A press release, press conference or response to a media enquiry/interview |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Press release of new research outcomes in the top journal (Physical Review Letters); picked up by many blogs, which has received many views at international scale. This has work has now been cited more than the journal's annual impact factor. |
| Year(s) Of Engagement Activity | 2019 |
| URL | https://aps.altmetric.com/details/56970896/news |
| Description | Public Engagement Workshop |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Study participants or study members |
| Results and Impact | Carried out a workshop among research team to design and build rigs for the Edinburgh Science Festival. Impact is not measurable just yet, until participation in festival. |
| Year(s) Of Engagement Activity | 2019 |
| Description | Training school (China University of Petroleum ) |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | We organised a 1 week training school to postgraduate students at the China University of Petroleum. We transferred knowledge on unique software and methods we have developed over the past few years. |
| Year(s) Of Engagement Activity | 2022 |