Micro- and nano-patterned electrodes for the study and control of spillover processes in catalysis
Lead Research Organisation:
University of Manchester
Department Name: Chem Eng and Analytical Science
Abstract
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Organisations
Publications
Kasyutich V
(2012)
Application of a cw quantum cascade laser CO2 analyser to catalytic oxidation reaction monitoring
in Applied Physics B
Fragkopoulos I
(2013)
Macroscopic multi-dimensional modelling of electrochemically promoted systems
in Chemical Engineering Science
Fragkopoulos I
(2014)
Multi-scale Modelling of Electrochemically Promoted Systems
in Electrochimica Acta
Tseronis K
(2016)
Detailed Multi-dimensional Modeling of Direct Internal Reforming Solid Oxide Fuel Cells.
in Fuel cells (Weinheim)
Kasyutich V
(2012)
13CO2/12CO2 isotopic ratio measurements with a continuous-wave quantum cascade laser in exhaled breath
in Infrared Physics & Technology
Kasyutich V
(2010)
Stability of widely tuneable, continuous wave external-cavity quantum cascade laser for absorption spectroscopy
in Infrared Physics & Technology
Kasyutich V
(2011)
Measurements of the linewidth of a continuous-wave distributed feedback quantum cascade laser
in Optics Communications
Kasyutich V
(2011)
A CO2 sensor based upon a continuous-wave thermoelectrically-cooled quantum cascade laser
in Sensors and Actuators B: Chemical
Fragkopoulos I
(2012)
22nd European Symposium on Computer Aided Process Engineering
Fragkopoulos I
(2014)
24th European Symposium on Computer Aided Process Engineering
Description | We have developed a new high sensitivity technique for measuring trace quantities of gas, specifically carbon dioxide in this project. There are many applications where this might be useful such as in measuring greenhouse gas emissions. |
Exploitation Route | It may be possible to commercialise the quantum cascade laser spectrometer developed in this project for a range of applications including medical breath analysis and optical isotope ratio analysis. |
Sectors | Agriculture, Food and Drink,Chemicals,Environment,Healthcare,Manufacturing, including Industrial Biotechology,Transport |
Description | Our findings have been used to explore catalytic reaction mechanisms in fine detail by measuring the input and output gases with very high sensitivity. The results have been used as preliminary data in a recently funded EC FP7 funded research award (PLIANT). We are also exploring the exploitation of the work through an SME for optical isotope ratio measurements. |
First Year Of Impact | 2011 |
Sector | Chemicals,Manufacturing, including Industrial Biotechology |
Description | EPSRC Responsive mode |
Amount | £1,675,667 (GBP) |
Funding ID | EP/P009050/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 03/2017 |
End | 02/2021 |
Description | Framework 7 |
Amount | € 550,000 (EUR) |
Organisation | European Commission |
Sector | Public |
Country | European Union (EU) |
Start | 02/2013 |
End | 01/2017 |
Title | A macroscopic model of electrochemical promotion |
Description | We have developed a multidimensional, isothermal, dynamic solid oxide single pellet model, which describes the chemical and electrochemical phenomena taking place under polarization conditions.The partial differential equation-based 2- and 3-dimensional macroscopic models that describe the simultaneous mass and charge transport in the pellet are constructed and solved in COMSOL Multiphysics. The model predicts species coverage on the catalytic surface, electronic and ionic potential curves across the pellet, gas mixture concentration within the reactor and gaseous production rates. |
Type Of Material | Computer model/algorithm |
Provided To Others? | No |
Impact | This model was used as a basis to subsequently develop multi-scale models of the process. |
Title | A multi-scale model of electrochemical promotion processes |
Description | We have constructed a 3-Dimensional, isothermal, solid oxide single pellet, multi-scale framework, which describes the chemical and electrochemical phenomena taking place in a solid oxide single pellet under closed-circuit conditions. The proposed framework combines a 3-D macroscopic model which employs the finite element method (FEM) for the simulation of the charge transport and the electrochemical phenomena taking place in the pellet, and an in-house developed efficient implementation of a 2-D lattice kinetic Monte Carlo method (kMC) for the simulation of the reaction-diffusion micro-processes taking place on the catalytic surface. |
Type Of Material | Computer model/algorithm |
Provided To Others? | No |
Impact | The developed multi-scale model is used for the simulation of Solid Oxide Fuel Cells in my group and to explain electrochemical promotion experimental date in the Newcastle group. The multi-scale methodology developed is being used to investigate intercellular phenomena for crowded systems and has led to a number of high quality scientific publications such as: L.A. Martinez, Constantinos Theodoropoulos. A Lattice-Boltzmann scheme for the diffusion simulation of intracellular crowding effects. BMC Bioinformatics (2015) 16: 353 DOI:10.1186/s12859-015-0769-8. L. Angeles-Martinez, C. Theodoropoulos. The influence of crowding conditions on the thermodynamic feasibility of metabolic pathways. Biophysical Journal (2015) 109:2394-2405. DOI:10.1016/j.bpj.2015.09.030. |