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  2. Exploring the internal structure of soot particles using…

    https://como.ceb.cam.ac.uk/media/preprints/Preprint_241.pdf
    16 Oct 2019: point to develop new flame synthesis routes for functionalcarbon-based nanomaterials [53]. ... However, soot particles are known to contain a significant fraction of hydro-gen (unlike materials such as carbon black) and are not completely carbonised, so
  3. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-172.pdf
    1 May 2019: As these particles reduce in mass, αj (j = 2, 3, 4) all move towards theposition of the new parent particle class to better represent these particles.
  4. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-164.pdf
    1 May 2019: This section presents a new model for minimizing network cost and CO2 emission ofmaterial exchanging at Jurong Island in Singapore. ... New pipeline installation. 5. Total transportation cost in a certain project life time.
  5. Modelling soot formation from wall films in a gasoline direct…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-157.pdf
    1 May 2019: Inception, i.e.nucleation of a new soot particle, is modelled by dimerisation of coronene – a seven-ring aromatic compound and the largest species represented by the gas-phase chemistrymodel.
  6. The polarisation of polycyclic aromatic hydrocarbons curved by…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-188.pdf
    1 May 2019: Q. Tian, and X. Sun. A new scheme for significant enhancementof the second order nonlinear optical response from molecules to ordered aggregates.Physical Chemistry Chemical Physics, 15(6):1810, 2013.
  7. Numerical investigation of DQMoM-IEM as a turbulent reaction closure

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-76.pdf
    1 May 2019: The method is not new, butwe present a systematic study that considers several important new aspects of themethod. ... Section 3 presents a rigorous numerical investigation ofDQMoM-IEM. A new analytic expression is presented for the DQMoM-IEM sourceterms.
  8. A high-dimensional, stochastic model for twin-screw granulation Part…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-192.pdf
    1 May 2019: ii) the optimal choice of selected numerical parameters within the new nucleation jumpprocess;. ... is passedback through the jump process (14) with a new ensemble particle xi.
  9. A mechanistic study on the simultaneous reduction of soot and nitric…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-83.pdf
    1 May 2019: The rate constants of the elementary reactions involved in the new proposed pathways arelisted in table 1. ... Therefore, the simulation results shown in the rest ofthis paper were evaluated with the new rate constant.
  10. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-186.pdf
    1 May 2019: In this same time interval, a particlecan leave with probability proportional to dt/β(x), or a new particle can enter with probability proportional to dt/V/α.
  11. OntoPowerSys: A Power Systems Ontology for Cross Domain Interactions…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-230.pdf
    4 Jun 2019: 2 Department of Chemical Engineeringand Biotechnology,University of Cambridge,New Museums Site,Pembroke Street,Cambridge, CB2 3RAUnited Kingdom.
  12. Control of HCCI Combustion Phasing during Transients by Hydrogen-Rich …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-68.pdf
    1 May 2019: A common problem in these strategies is the need for estab-lishing new infrastructures to supply two different fuels.
  13. A detailed particle model for polydisperse titanium dioxide aggregates

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-215.pdf
    1 May 2019: 3 Particle model. In this section the new detailed particle model is presented. ... Ensemble contractions occur when a new particle is inceptedinto an already saturated ensemble.
  14. On the milling behaviour of flame synthesised titania particles

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-177.pdf
    1 May 2019: On the milling behaviour of flame synthesised titania particles. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. On the milling behaviour of flame synthesisedtitania particles. Casper Lindberg 1, Jethro Akroyd 1,
  15. Learning based Evolutionary Assitive Paradigm for Surrogate Selection …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-197.pdf
    1 May 2019: 5. It enables users to add new modelling techniques as well as system attributes with-out disturbing the existing architecture of the framework. ... Note that we would like to design LEAPS2 in such a way that it can be evolved dynami-cally as and when
  16. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-168.pdf
    1 May 2019: Abstract. A new method of moments for solving the population balance equation is devel-oped and presented. ... 4 Conclusion. A new moment projection method (MPM) for solving the population balance equation(PBE) has been developed and presented.
  17. Numerical simulation and parametric sensitivity study of particle…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-148.pdf
    1 May 2019: Inception is assumed to occurby the dimerisation of two pyrene molecules producing a new particle that contains 32carbon atoms.
  18. Solid-liquid transitions in homogenous ovalene, hexabenzocoronene and …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-143.pdf
    1 May 2019: Some new aspects of the mechanism of carbonformation in premixed flames.
  19. Size-dependent melting of polycyclic aromatic hydrocarbon (PAH)…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-130.pdf
    1 May 2019: 14] D. C. Easter. Identification of a new C3 structure and evidence for the co-existence of two (Benzene)13 cluster isomers in free jet expansions: A MonteCarlo study.
  20. Numerical simulation and parametric sensitivity study of optical band …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-159.pdf
    1 May 2019: We set out a new stochastic algorithm for solving the population balance equa-tions for soot particles in a laminar co-flow diffusion flame.
  21. A quantitative study of the clustering of polycyclic aromatic…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-108.pdf
    1 May 2019: This new potential was shown to accurately reproduce intermolecular interactions in avariety of dimer conformations for small PAH molecules. ... The dimerisation consideredis PAHi PAHi (PAHi)2, for which, in creating the dimer, six new
  22. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-170.pdf
    1 May 2019: In DEM simulations, the motion of each particle is computed simultaneously using New-tonian equations of motion [13].
  23. The Carbon Footprint and Non-Renewable Energy Demand of Algae-Derived …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-128.pdf
    1 May 2019: the relative sensitivities of the key environmental metrics to the process variables.An application of such information could be, for example, when a research group de-veloping new strains of algae ... want to determine whether getting a higher annual
  24. A high-dimensional, stochastic model for twin-screw granulation Part…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-191.pdf
    1 May 2019: Twin-screw granulation (TSG) is a relatively new method of continuous granule produc-tion and is currently subject to a high degree of research as a viable alternative to batchgranulation.
  25. Deep Kernel Learning Approach to Engine Emissions Modelling

    https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-243.pdf
    12 Nov 2019: Deep Kernel Learning Approach toEngine Emissions Modelling. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Deep Kernel Learning Approach toEngine Emissions Modelling. Changmin Yu 1, Marko Seslija 1, George
  26. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-153.pdf
    1 May 2019: The high complexity of fuels encouraged the search for mixturesof limited components to ease the development of new combustion technologies throughcomputational tools, and to generate insight and understanding of underlying fundamentalprocesses.
  27. A c4e preprint for Chemical Engineering Science

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-132.pdf
    1 May 2019: Multivariate characterisation of lactose powder and granules of a wet granulation process. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Multivariate characterisation of lactose powderand granules of a wet
  28. Understanding the anatase-rutile stability in flame-made TiO2

    https://como.ceb.cam.ac.uk/media/preprints/preprint_238.pdf
    13 Sep 2019: Understanding the anatase-rutile stability in flame-made TiO2. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Understanding the anatase-rutile stability inflame-made TiO2. Manoel Y. Manuputty 1,2, Casper S.
  29. Slide 1

    https://como.ceb.cam.ac.uk/media/presentations/mk306-invitedpresentation-linz-2015.pdf
    1 May 2019: The first of these is inception, two PAHs in the gas-phase stick together introducing a new particle into the system consisting of one primary. ... In SWA, the stochastic particle xj,wj is unaffected, but the new particle of type xi is constructed using
  30. On a multivariate population balance model to describe the structure…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-105.pdf
    1 May 2019: Inception: The collision of two molecules in the gas phase introduces a new particle intothe system consisting of one primary. ... 2. In this process, one –OH site is decreased and three new –OH sites areadded.
  31. A coupled CFD-population balance approach for nanoparticle synthesis…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-99.pdf
    1 May 2019: A coupled CFD-population balance approach for nanoparticle synthesis in turbulent reacting flows. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. A coupled CFD-population balance approach fornanoparticle
  32. Impact of powder characteristics on a particle granulation model

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-122.pdf
    1 May 2019: The implementation of the model is such that when a coalescence event occurs, two par-ticles are selected from the ensemble to create a single new particle.
  33. Optical band gap of cross-linked, curved, and radical polyaromatic ...

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-225.pdf
    1 May 2019: Pericondensed aromatics with differentsymmetries were calculated with this improved functional providing new scaling re-lationships for the OBG versus size.
  34. First-principles thermochemistry for the production of TiO2 from TiCl4

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-42.pdf
    1 May 2019: 2003-08 of ECS Proceedings, The Elec-trochemical Society, The Electrochemical Society, Pennington, New Jersey, USA,pp. ... C. (1998). Devel-opment and assessment of new exchange-correlation functionals, J. Chem.
  35. The impact of cyclic fuels on the formation and structure of soot

    https://como.ceb.cam.ac.uk/media/preprints/Preprint_Cyclic_fuels.pdf
    27 Nov 2019: The purpose of this paper is to gain new insights into the sooting propensity of cyclicfuels relative to linear alkanes and to understand the influence of the fuel structure on theincorporation
  36. A statistical approach to develop a detailed soot growth model using…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-52.pdf
    1 May 2019: New rates for the reactionsinvolved in the cyclodehydrogenation process for the formation of 6-member rings onPAHs are calculated in this work based on density functional theory simulations. ... New rates for the reactions involved in the
  37. Quantitative tools for cultivating symbiosis in industrial parks; a…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-152.pdf
    1 May 2019: 14. 3.2 Water networks. 15. 3.3 New elements. 16. 3.4 Beyond park boundaries. ... 3.3 New elements. The introduction of new industries or power generation systems has also been a topic ofdiscussion.
  38. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-169.pdf
    1 May 2019: Population balance modelling of TiO2 synthesis in a stagnation flame. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Population balance modelling of TiO2 synthesis ina stagnation flame. Manoel Manuputty 1,
  39. Investigation of the impact of the configuration of exhaust…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-228.pdf
    29 May 2019: Investigation of the impact of the configuration of exhaust after-treatment system for diesel engines. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Investigation of the impact of the configuration ofexhaust
  40. Analysing the effect of screw configuration using a stochastic…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-195.pdf
    1 May 2019: 3. 1 Introduction. Twin-screw wet granulation (TSG) is a relatively new method of continuous granule man-ufacture. ... 1. Coagulating collision: collision pair forms a new aggregate particle. xi,x j 7 Tcoag(xi,x j), (6).
  41. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-198.pdf
    1 May 2019: Bivariate extension of the moment projection method for the particle population balance dynamics. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Bivariate extension of the moment projectionmethod for the
  42. Design of Computer Experiments: A Review

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-182.pdf
    1 May 2019: These designs are commonly knownas classical designs. While the classical DoE (a branch of DoE) essentially caters tophysical experiments, the advent of computers has spawned a new branch of DoE, namelythe
  43. A Systematic Method to Estimate and Validate Enthalpies of Formation…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-179.pdf
    1 May 2019: Ŝrej Ŝrej {smax}. (17). A new set of EBRs R̂new(smax) is determined for smax using reference set S. ... The revised species set S is usedto identify distinct EBRs and a new set of reactions R̃new(s) for species s.
  44. A stochastic approximation scheme and convergencetheorem for particle …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-32.pdf
    1 May 2019: Clive G. Wells. Department of Chemical Engineering, University of Cambridge, New Museum Site,.
  45. A Big Data Framework to Validate Thermodynamic Data for Chemical…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-171.pdf
    1 May 2019: 10. 4 Conclusions. This paper demonstrates the application of a new framework to validate large sets ofthermochemical data for chemical species.
  46. Techno-economic assessment of carbon-negative algal biodiesel for…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-119.pdf
    1 May 2019: As PBRs are a relatively new technology and vary widely in terms of materials, geometricparameters and mechanical operation, it is very difficult to predict an accurate capacitycost.
  47. Assessing the PAHAP potential with application to the exfoliation ...

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-107.pdf
    1 May 2019: The development of new computational quantum chemistrymethods which combine high accuracy with computational efficiency has enabled thedevelopment of a new class of specific, high-accuracy intermolecular potentials. ... considered transferable because a
  48. Integration of 7-membered rings in graphenic polyaromatic hydrocarbons

    https://como.ceb.cam.ac.uk/media/preprints/heptagons_everywhere_1.pdf
    27 Nov 2019: A density functional theory study on the kinetics of seven-member ring formation in polyaromatic hydrocarbons. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. A density functional theory study on the kineticsof
  49. Particle Formation and Models in Internal Combustion Engines

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-142.pdf
    1 May 2019: Particle Formation and Models in Internal Combustion Engines. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Particle Formation and Models in InternalCombustion Engines. David Kittelson 1 Markus Kraft 2. released
  50. Preprint Cambridge Centre for Computational Chemical Engineering ISSN …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-187.pdf
    1 May 2019: fluid. For the injector, this is the interface polar deposit|liquid fuel; with brand new injectors, it.
  51. Evolution of the soot particle size distribution along the centreline …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-206.pdf
    1 May 2019: 1a). A syringe pump (New Era NE-501) delivered 7 g h1 of fuelto an evaporator (Bronkhorst CEM). ... In Proceedings of the 33rd National Heat Transfer Conference, Albu-querque, New Mexico, pages HTD99–282.

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