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In this work we develop new ontologies to extend the World Avatar knowledge graph to represent gas grids, gas consumption statistics, and climate data. ... Using a combination of the new and existing ontologies we construct a Universal Digital Twin that

News item 132. Preprint 234 published. 08 August 2019. Preprint 234, "Reactivity of polycyclic aromatic hydrocarbon radicals: implications for soot formation", has been published!

News item 72. Preprint 88 published. 10 January 2010. Preprint 88, "A Detailed Chemistry Simulation of the SI-HCCI Transition", has been published on the CoMo Group website. .

The energetics and the kinetics of the new reactions are studied using density functional theory (DFT) and transition state theory, respectively, and their evaluated rates are presented. ... Due to a discrepancy in the rate for CO removal from soot

News item 47. Preprint 67 Published. 17 February 2009. Preprint 67, "A detailed model for the sintering of polydispersed nanoparticles agglomerates", has been published on the CoMo Group website. .

News item 179. Congratulations to Wanni Xie and Markus Hofmeister. 04 July 2024.

News item 151. Preprint 265 published. 19 January 2021. Preprint 265, "ElChemo: A Cross-Domain Interoperability in a Chemical Plant", has been published!

News item 127. CoMo group open to Feodor Lynen Research Fellows.

News item 123. Preprint 218 published. 20 January 2019. Preprint 218, "OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms", has been published!

News item 102. Preprint 107 published. 23 August 2011. Preprint 107, "Assessing the PAHAP potential with application to the exfoliation energy of graphite". .

News item 51. Preprint 71 Published. 27 April 2009. Preprint 71, "Electronic and optical properties of aluminium-doped anatase and rutile TiO.

News item 158. Preprint 276 published. 29 July 2021. Preprint 276, ''Universal Digital Twin - Land Use'', has been published!

News item 147. PhD studentship available: Modelling the plasma synthesis of graphene.

News item 79. Preprint 95 published. 23 March 2010. Preprint 95, "Comparison of the Stochastic Fields method and DQMoM-IEM as turbulent reaction closures", has been published on the CoMo Group

News item 76. Preprint 92 published. 05 February 2010. Preprint 92, "Moving Toward Establishing More Robust and Systematic Model Development for IC Engines Using Process Informatics", has been published on the

News item 69. Preprint 85 published. 22 December 2009. Preprint 85, "First-principles thermochemistry for the combustion of TiCl. ... Thermochemical data and enthalpies of formation are calculated for 141 new species using density functional theory (DFT)

News item 61. Preprint 78 published. 04 August 2009. Preprint 78, "Statistical approximation of the inverse problem in multivariate population balance modelling", has been published on the CoMo Group website. .

News item 167. Preprint 284 published. 10 November 2021. Preprint 284, ''From Platform to Knowledge Graph: Evolution of Laboratory Automation'', has been published!

News item 117. UK/EU Studentship in Computational Chemical Engineering. 23 April 2015.

News item 73. Preprint 89 published. 11 January 2010. Preprint 89, "A Fast Detailed-Chemistry Modelling Approach for Simulating the SI-HCCI Transition", has been published on the CoMo Group website. .

News item 74. Preprint 90 published. 12 January 2010. Preprint 90, "Modelling Soot Formation in a DISI Engine", has been published on the CoMo Group website. .

News item 53. Preprint 73 Published. 01 June 2009. Preprint 73, "A study on the coagulation of polycyclic aromatic hydrocarbon clusters to determine their collision efficiency ", has been published on the

News item 161. CARES webinar: Intelligent Decarbonisation. 11 August 2021. This webinar will discuss how intelligent digital technologies can assist the transition of economies to Net Zero and assess their potential

News item 124. Preprint 219 published. 21 January 2019. Preprint 219, "Nanostructure of Gasification Charcoal (Biochar)", has been published!

News item 121. Funded PhD studentship in Computational Modelling of Nanoparticle Synthesis.

News item 91. Preprint 99 published. 20 December 2010. Preprint 99, "A coupled CFD-population balance approach for nanoparticle synthesis in turbulent reacting flows". .

News item 60. Dr Markus Kraft and Dr Robert Patterson receive the Ricardo award. ... 151, 160-172, (2007). The paper presents new bivariate models for soot particle structure.

News item 54. Preprint 74 Published. 03 June 2009. Preprint 74, "First-principles thermochemistry for the combustion of a TiCl.

News item 46. Preprint 66 Published. 29 January 2009. Preprint 66, "Incorporating experimental uncertainties into multivariate granulation modelling ", has been published on the CoMo Group website. .

News item 34. Preprint 58 Published. 29 May 2008. Preprint 58, "A predictor-corrector algorithm for the coupling of stiff ODEs to a particle population balance", has been published on the ... ODE. solver every splitting-step. The numerical convergence of

News item 125. Preprint 220 published. 22 January 2019. Preprint 220, "Dynamic polarity of curved aromatic soot precursors", has been published!

News item 119. PhD studentships available. 17 May 2018. Two fully-funded 3.5 year PhD studentships are available in the Computational Modelling Group, Department of Chemical Engineering and Biotechnology, at

News item 78. Preprint 94 published. 19 February 2010. Preprint 94, "Simulating combustion of practical fuels and blends for modern engine applications using detailed chemical kinetics", has been published on the

News item 43. Preprint 64 Published. 21 January 2009. Preprint 64, "A Detailed Chemistry Multi-cycle Simulation of a Gasoline Fueled HCCI Engine Operated with NVO", has been published on the

News item 170. Preprint 291 published. 22 February 2022. Preprint 291, ''Reviewing the modelling treatment of deposits in particulate filters for internal combustion emissions'', has been published!

News item 133. Preprint 236 published. 13 August 2019. Preprint 236, "Linking Reaction Mechanisms and Quantum Chemistry: An Ontological Approach", has been published! ... In addition, a new ontology, which we call OntoSpecies, is developed for uniquely

News item 107. CoMo Group to investigate the potential of combining algae and solar power for low carbon fuels and commodity chemicals.

News item 86. Multiple awards at the Society of Automotive Engineers World Congress.

News item 62. Preprint 79 published. 06 August 2009. Preprint 79, "Mapping Surrogate Gasoline Compositions into RON/MON Space", has been published on the CoMo Group website. . ... In this paper, new experimentally determined octane numbers (RON & MON) of

News item 148. Preprint 262 published. 10 November 2020. Preprint 262, ''Automated calibration of a poly(oxymethylene) dimethyl ether oxidation mechanism using knowledge-graph technology'', has been published!

News item 144. Preprint 259 published. 22 September 2020. Preprint 259, "Modelling investigation of the thermal treatment of ash-contaminated particulate filters" has been published!

News item 113. Laboratory technician position available. 22 April 2014. A Laboratory Technician position is available in the Computational Modelling Group, Department of Chemical Engineering and Biotechnology, at the University of ... commissioning of

News item 122. Funded PhD studentship in Experimental Investigation of Nanoparticle Synthesis.

News item 103. Preprint 108 published. 22 September 2011. Preprint 108, "A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures". .

News item 44. Preprint 65 Published. 26 January 2009. Preprint 65, "Influence of Injection Timing and Piston Bowl Geometry on Diesel PCCI Combustion and Emissions ", has been published on the CoMo

News item 28. Preprint 54 Published. 20 January 2008. Preprint 54, "Studying the Influence of Direct Injection on.

News item 153. Preprint 267 published. 15 February 2021. Preprint 267, "Self-assembly of curved aromatic molecules in nanoparticles", has been published!

News item 128. Preprint 229 published. 21 May 2019. Preprint 229, "Sphere Encapsulated Monte Carlo: Obtaining minimum energy configurations of large aromatic systems", has been published!

News item 134. Best student oral presentation at the Carbon conference 2019.

News item 59. Preprint 77 published. 19 July 2009. Preprint 77, "Modelling the Internal Structure of Nascent Soot Particles", has been published on the CoMo Group website. .