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All Stories

  1. Efficient simulation and auto-calibration of soot particle processes in Diesel engines

    Article • Applied Energy, March 2020, Elsevier

    Dr Jethro Akroyd

  2. OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms

    Article • Journal of Chemical Information and Modeling, December 2019, American Chemical Society (ACS)

    Dr Jethro Akroyd

  3. Numerical simulation and parametric sensitivity study of titanium dioxide particles synthesised in a stagnation flame

    Article • Journal of Aerosol Science, December 2019, Elsevier

    Dr Jethro Akroyd

  4. A detailed particle model for polydisperse aggregate particles

    Article • Journal of Computational Physics, November 2019, Elsevier

    Dr Jethro Akroyd

  5. A new methodology to calculate process rates in a kinetic Monte Carlo model of PAH growth

    Article • Combustion and Flame, November 2019, Elsevier

    Dr Jethro Akroyd

  6. Evolution of the soot particle size distribution along the centreline of an n-heptane/toluene co-flow diffusion flame

    Article • Combustion and Flame, November 2019, Elsevier

    Dr Jethro Akroyd

  7. A joint moment projection method and maximum entropy approach for simulation of soot formation and oxidation in diesel engines

    Article • Applied Energy, November 2019, Elsevier

    Dr Jethro Akroyd

  8. An assessment of the viability of alternatives to biodiesel transport fuels

    Article • Applied Energy, October 2019, Elsevier

    Dr Jethro Akroyd

  9. Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Implications of Localized π-Radicals on Rim-Based Pentagonal Rings

    Article • The Journal of Physical Chemistry C, October 2019, American Chemical Society (ACS)

    Dr Jethro Akroyd

  10. Dynamic polarity of curved aromatic soot precursors

    Article • Combustion and Flame, August 2019, Elsevier

    Dr Jethro Akroyd

  11. A hybrid particle-number and particle model for efficient solution of population balance equations

    Article • Journal of Computational Physics, July 2019, Elsevier

    Dr Jethro Akroyd

  12. Detailed characterisation of TiO2 nano-aggregate morphology using TEM image analysis

    Article • Journal of Aerosol Science, July 2019, Elsevier

    Dr Jethro Akroyd

  13. An Ontology and Semantic Web Service for Quantum Chemistry Calculations

    Article • Journal of Chemical Information and Modeling, May 2019, American Chemical Society (ACS)

    Dr Jethro Akroyd

  14. Bivariate extension of the moment projection method for the particle population balance dynamics

    Article • Computers & Chemical Engineering, May 2019, Elsevier

    Dr Jethro Akroyd

  15. A two-step simulation methodology for modelling stagnation flame synthesised aggregate nanoparticles

    Article • Combustion and Flame, April 2019, Elsevier

    Dr Jethro Akroyd

  16. Improved methodology for performing the inverse Abel transform of flame images for color ratio pyrometry

    Article • Applied Optics, March 2019, Optical Society of America (OSA)

    Dr Jethro Akroyd

  17. Experimental and numerical study of the evolution of soot primary particles in a diffusion flame

    Article • Proceedings of the Combustion Institute, January 2019, Elsevier

    Dr Jethro Akroyd

  18. Extended first-principles thermochemistry for the oxidation of titanium tetrachloride

    Article • Combustion and Flame, January 2019, Elsevier

    Dr Jethro Akroyd

  19. Internal structure of soot particles in a diffusion flame

    Article • Carbon, January 2019, Elsevier

    Dr Jethro Akroyd

  20. Modelling particle mass and particle number emissions during the active regeneration of diesel particulate filters

    Article • Proceedings of the Combustion Institute, January 2019, Elsevier

    Dr Jethro Akroyd

  21. Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Jethro Akroyd

  22. Why are flames yellow?

    Article • Proceedings of the Combustion Institute, January 2019, Elsevier

    Dr Jethro Akroyd

  23. Polymorphism of nanocrystalline TiO2 prepared in a stagnation flame: formation of the TiO2-II phase

    Article • Chemical Science, January 2019, Royal Society of Chemistry

    Dr Jethro Akroyd

  24. Flexoelectricity and the Formation of Carbon Nanoparticles in Flames

    Article • The Journal of Physical Chemistry C, August 2018, American Chemical Society (ACS)

    Dr Jethro Akroyd

  25. A systematic method to estimate and validate enthalpies of formation using error-cancelling balanced reactions

    Article • Combustion and Flame, January 2018, Elsevier

    Dr Jethro Akroyd

  26. Modelling of secondary particulate emissions during the regeneration of Diesel Particulate Filters

    Article • Energy Procedia, December 2017, Elsevier

    Dr Jethro Akroyd

  27. Modelling of soot formation in a diesel engine with the moment projection method

    Article • Energy Procedia, December 2017, Elsevier

    Dr Jethro Akroyd

  28. The Polarization of Polycyclic Aromatic Hydrocarbons Curved by Pentagon Incorporation: The Role of the Flexoelectric Dipole

    Article • The Journal of Physical Chemistry C, November 2017, American Chemical Society (ACS)

    Dr Jethro Akroyd

  29. Developing breakage models relating morphological data to the milling behaviour of flame synthesised titania particles

    Article • Chemical Engineering Science, July 2017, Elsevier

    Dr Jethro Akroyd

  30. Detailed population balance modelling of TiO 2 synthesis in an industrial reactor

    Article • Chemical Engineering Science, June 2017, Elsevier

    Dr Jethro Akroyd

  31. Extension of moment projection method to the fragmentation process

    Article • Journal of Computational Physics, April 2017, Elsevier

    Dr Jethro Akroyd

  32. Modelling TiO 2 formation in a stagnation flame using method of moments with interpolative closure

    Article • Combustion and Flame, April 2017, Elsevier

    Dr Jethro Akroyd

  33. Screening and techno-economic assessment of biomass-based power generation with CCS technologies to meet 2050 CO2 targets

    Article • Applied Energy, March 2017, Elsevier

    Dr Jethro Akroyd

  34. A big data framework to validate thermodynamic data for chemical species

    Article • Combustion and Flame, February 2017, Elsevier

    Dr Jethro Akroyd

  35. Modelling PAH curvature in laminar premixed flames using a detailed population balance model

    Article • Combustion and Flame, February 2017, Elsevier

    Dr Jethro Akroyd

  36. A moment projection method for population balance dynamics with a shrinkage term

    Article • Journal of Computational Physics, February 2017, Elsevier

    Dr Jethro Akroyd

  37. Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4

    Article • Zeitschrift für Physikalische Chemie, January 2017, De Gruyter

    Professor Markus Kraft, Dr Jethro Akroyd

  38. A kinetic mechanism for the thermal decomposition of titanium tetraisopropoxide

    Article • Proceedings of the Combustion Institute, January 2017, Elsevier

    Dr Jethro Akroyd

  39. Design technologies for eco-industrial parks: From unit operations to processes, plants and industrial networks

    Article • Applied Energy, August 2016, Elsevier

    Dr Jethro Akroyd

  40. Numerical simulation and parametric sensitivity study of optical band gap in a laminar co-flow ethylene diffusion flame

    Article • Combustion and Flame, May 2016, Elsevier

    Dr Jethro Akroyd

  41. Skeletal chemical mechanism of high-temperature TEOS oxidation in hydrogen–oxygen environment

    Article • Combustion and Flame, April 2016, Elsevier

    Dr Jethro Akroyd

  42. Applying Industry 4.0 to the Jurong Island Eco-industrial Park

    Article • Energy Procedia, August 2015, Elsevier

    Dr Jethro Akroyd

  43. Sooting tendency of surrogates for the aromatic fractions of diesel and gasoline in a wick-fed diffusion flame

    Article • Fuel, August 2015, Elsevier

    Dr Jethro Akroyd

  44. First-Principles Thermochemistry for the Thermal Decomposition of Titanium Tetraisopropoxide

    Article • The Journal of Physical Chemistry A, July 2015, American Chemical Society (ACS)

    Dr Jethro Akroyd

  45. Numerical simulation and parametric sensitivity study of particle size distributions in a burner-stabilised stagnation flame

    Article • Combustion and Flame, June 2015, Elsevier

    Dr Jethro Akroyd

  46. Solid–liquid transitions in homogenous ovalene, hexabenzocoronene and circumcoronene clusters: A molecular dynamics study

    Article • Combustion and Flame, February 2015, Elsevier

    Dr Jethro Akroyd

  47. Ab initio Variational Transition State Theory and Master Equation Study of the Reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5

    Article • Zeitschrift für Physikalische Chemie, January 2015, De Gruyter

    Professor Markus Kraft, Dr Jethro Akroyd

  48. A detailed kinetic study of the thermal decomposition of tetraethoxysilane

    Article • Proceedings of the Combustion Institute, January 2015, Elsevier

    Dr Jethro Akroyd

  49. Surface reactivity of polycyclic aromatic hydrocarbon clusters

    Article • Proceedings of the Combustion Institute, January 2015, Elsevier

    Dr Jethro Akroyd

  50. Phase change of polycyclic aromatic hydrocarbon clusters by mass addition

    Article • Carbon, October 2014, Elsevier

    Dr Jethro Akroyd

  51. Lifting a buried object: Reverse hopper theory

    Article • Chemical Engineering Science, February 2014, Elsevier

    Dr Jethro Akroyd

  52. Size-dependent melting of polycyclic aromatic hydrocarbon nano-clusters: A molecular dynamics study

    Article • Carbon, February 2014, Elsevier

    Dr Jethro Akroyd

  53. Stochastic solution of population balance equations for reactor networks

    Article • Journal of Computational Physics, January 2014, Elsevier

    Dr Jethro Akroyd

  54. Bayesian parameter estimation for a jet-milling model using Metropolis–Hastings and Wang–Landau sampling

    Article • Chemical Engineering Science, February 2013, Elsevier

    Dr Jethro Akroyd

  55. A fully coupled simulation of PAH and soot growth with a population balance model

    Article • Proceedings of the Combustion Institute, January 2013, Elsevier

    Dr Jethro Akroyd

  56. Theoretical insights into the surface growth of rutile TiO2

    Article • Combustion and Flame, October 2011, Elsevier

    Dr Jethro Akroyd

  57. A coupled CFD-population balance approach for nanoparticle synthesis in turbulent reacting flows

    Article • Chemical Engineering Science, September 2011, Elsevier

    Dr Jethro Akroyd

  58. Comparison of the stochastic fields method and DQMoM-IEM as turbulent reaction closures

    Article • Chemical Engineering Science, October 2010, Elsevier

    Dr Jethro Akroyd

  59. Numerical investigation of DQMoM-IEM as a turbulent reaction closure

    Article • Chemical Engineering Science, March 2010, Elsevier

    Dr Jethro Akroyd