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

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.
 
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.