A5011747109- Catalysts for Methane Reforming
- Catalytic Processes in Materials Science
- Catalysis and Hydrodesulfurization Studies
- Metal-Organic Frameworks: Synthesis and Applications
- Catalysis and Oxidation Reactions
- Process Optimization and Integration
- Electrocatalysts for Energy Conversion
- Advanced Control Systems Optimization
- Hydrogen Storage and Materials
- Thermochemical Biomass Conversion Processes
- Superconductivity in MgB2 and Alloys
- Phase Equilibria and Thermodynamics
- Synthesis and properties of polymers
- Zeolite Catalysis and Synthesis
- Advanced Chemical Physics Studies
- Physics of Superconductivity and Magnetism
- Chemical and Physical Properties of Materials
- Advanced Multi-Objective Optimization Algorithms
- Machine Learning in Materials Science
- Carbon Dioxide Capture Technologies
- Nanomaterials for catalytic reactions
- nanoparticles nucleation surface interactions
- Catalysis for Biomass Conversion
- Heat transfer and supercritical fluids
- Hybrid Renewable Energy Systems
Queen's University Belfast
2023-2024
Imperial College London
2024
University of Manchester
2016-2020
University of Bath
2020
Shiraz University
2010-2013
This study shows that for a reliable evaluation of porous adsorbents carbon capture based on the fixed bed adsorption analysis, one must consider effect velocity variation due to make fair judgment predicting performance materials under flow conditions. A combined experimental and numerical CO 2 /N in beds using three forms amorphous powder (bulk activated carbon, AC), crystalline CuBTC metal‐organic framework, MOF) pellets (pelleted CuBTC) was carried out show breakthrough curves....
Metal-organic frameworks (MOFs) are playing a key role in developing the next generation of heterogeneous catalysts. In this work, near ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) is applied to study operando CO oxidation on Pt@MOFs (UiO-67) and Pt@ZrO2 catalysts, revealing same Pt surface dynamics under stoichiometric CO/O2 at 3 mbar. Upon ignition ca. 200 °C, signature binding energy (BE) shift towards lower BE (from 71.8 71.2 eV) observed for all confirming metallic...
The present paper focuses on optimization of a thermally coupled double membrane methanol reactor (TCDMR). This novel configuration is used in order to increase production and achieve pure hydrogen. To reach this goal, the exothermic synthesis reaction with endothermic dehydrogenation methylcyclohexane improve heat transfer between sides. Methylcyclohexane (MCH) has been proposed as potential candidate among cycloalkanes produce gaseous hydrogen liquid aromatic product toluene (TOL). Two...
The hydrogenation of acetylene on entire large Pd/PdC x nanoparticles has been investigated via large-scale DFT simulations. impact interstitial C examined whilst addressing the challenge simulation system size.
Abstract Dimethyl ether (DME) is traditionally produced by methanol dehydration in an adiabatic reactor. Recently, a more economical method has been proposed to produce DME reactor which production and take place simultaneously on bi-functional catalyst. In the present study, design optimization of industrial scale fixed bed for direct synthesis from syngas are investigated. A steady state, pseudo-homogeneous model applied simulate At first, preliminary done based heuristics reactors. Then,...
Supported bimetallic nanoparticles (BNPs) are promising catalysts, but study on their compositional and structural changes under reaction conditions remains a challenge. In this work, the structure of PtNi BNPs supported UiO-67 metal–organic framework (MOF) catalyst (i.e., [email protected]) was investigated by in situ near ambient pressure X-ray photoelectron spectroscopy (NAP-XPS). The results showed differences reduction behaviour Ni species monometallic catalysts protected] protected]),...
The formation of interstitial PdC x nanoparticles (NPs) is investigated through DFT calculations. Insights on the mechanisms carbidisation are obtained whilst material's behaviour under conditions increasing C-concentration examined. Incorporation C atoms in Pd octahedral sites occurring [111] facet with an activation energy barrier 19.3-35.7 kJ mol-1 migration [100] corresponds to higher barriers 124.5-127.4 mol-1. Furthermore, interstitial-type diffusion shows that will preferentially...
Abstract The present study combines simultaneously the definition of fluidisation and process intensification (thermally coupled heat exchanger reactor) concept determines optimum operational conditions in both sides reactor, using Differential Evolution (DE) optimisation approach. exothermic hydrogenation nitrobenzene to aniline takes place a set tubular reactors which is placed inside naphtha thermally handle endothermic reaction reforming. A single objective function consists four terms...
Abstract The reactions under which interstitial structures of Pd form are profoundly important and prevalent in catalysis; the formation stability hydride well understood, however, carbide nitride relatively explored. This work reports a systematic study PdC x PdN at elevated temperatures different atmospheres using situ L 3 edge XANES spectroscopy. These studies were further complemented by application 14 N MAS‐NMR experiments computational DFT investigations. confirmed that was...
PdN x mediated selectivity of ethanol ammoxidation (with NH 3 and O 2 ) to acetonitrile, above 240 °C the phase is removed oxidised surface promotes combustion CO .