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  2. Surface chemistry and particle shape. Processes for the evolution of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-98.pdf
    1 May 2019: Biotechnology. University of Cambridge. New Museums Site. Pembroke Street. Cambridge, CB2 3RA. ... Eventually thesurface chemistry acting on the aggregate provides a new, larger primaryparticle.
  3. An aromatic site description of soot particles

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-51.pdf
    1 May 2019: Clearly adding an additionalcarbon to a bay generates a new ring, which in turns affects the next neighbouring site ofthe bay. ... Analysis of soot surface growth path-ways using published PFR data with new PSD measurements and published pre-mixed flame
  4. Frame22-BKZM.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-24.pdf
    1 May 2019: Cambridge Centre forComputational Chemical. Engineering. University of CambridgeDepartment of Chemical Engineering. Preprint ISSN 1473 – 4273. Analyzing the limits of a stable Homogeneous. Charge Compression Ignition (HCCI) operation. Amit Bhave,
  5. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-22.pdf
    1 May 2019: where Isurf is the rate of surface deposition of new mass and ax is the surface areaof a particle of size x. ... the mass density and introduce a new continuous compactly-supported test function,ψ(x), such that xψ(x) = φ(x).
  6. Flexoelectricity and the formation of carbon nanoparticles in flames…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-207.pdf
    1 May 2019: The results indicate that the physical interactionbetween fullerene-like polar aromatics and chemi-ions is critically assisting the nu-cleation, and opens a new route to reduce pollution and improve ... While the suggestion of ions assisting nucleation
  7. A new model for silicon nanoparticle synthesis

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-121.pdf
    1 May 2019: A new model for silicon nanoparticle synthesis. William J. Menz, Markus Kraft 1. ... changed to reflect the structure of old particlesPq and Ps, and their new connection.
  8. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-156.pdf
    1 May 2019: 1. 1 Introduction. The high complexity of petroleum-based fuels has encouraged the search for mixturesof limited components to ease the development of new combustion technologies throughcomputational tools, and to generate
  9. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-31.pdf
    1 May 2019: The inflow-outflow step as given in point 8 above is a new sub-model and is discussedin detail in the next sub-section. ... The weight ofa new particle equals its mass, leading to. W (i) =ṁin t.
  10. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-184.pdf
    1 May 2019: DBN proposed by [23] provides a new way to train deep generative models, which iscalled layer-wise greedy pre-training algorithm. ... Besides,the RVFL-based surrogate models can easily update the weights according to new inputsamples [10].
  11. An assessment of the viability of alternatives to biodiesel transport …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-216.pdf
    1 May 2019: Meyer. Carbon DioxideCapture and Storage. Cambridge University Press, New York, 2005. ... Technical report,2013. [23] M. Packer. Algal capture of carbon dioxide; biomass generation as a toolfor greenhouse gas mitigation with reference to New Zealand
  12. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-194.pdf
    1 May 2019: Diesel combustion isamong the major sources of soot emission, requiring the development of new additivesand the formulation of cleaner diesel fuel mixtures.
  13. GKC-frame-001.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-9.pdf
    1 May 2019: The new algorithm, MFA, exhibitssignificant variance reduction—and therefore improved simulation efficiency—for the prediction of higher moments, but for our test case the zeroth moment(the total number of particles) ... Liu and I. T. Cameron. A new
  14. Linking Reaction Mechanisms and Quantum Chemistry: An Ontological…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-236.pdf
    8 Aug 2019: Inaddition, a new ontology, which we call OntoSpecies, is developed for uniquely rep-resenting chemical species. ... We propose a new ontology called OntoSpecies as acore component of this approach.
  15. Efficient simulation and auto-calibration of soot particle processes…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-231.pdf
    23 Jun 2019: This new approach has been shown to satisfy the required accuracywith a reduced number of simulation times. ... law characteristic of the particu-lar model and mixed to produce two new stochastic particles.
  16. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-13.pdf
    1 May 2019: Fax: 44 (0)1223 334796E-Mail: c4e@cheng.cam.ac.ukWorld Wide Web: http://www.cheng.cam.ac.uk/c4e/. Abstract. In this paper new stochastic algorithms for the numerical solution ... Assume furthermore that there exist I different jumpsJ1,. , Jα,. , JI
  17. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-181.pdf
    1 May 2019: New process equilib-rium can be evaluated after certain operation parameters change. ... Thus enables everyone to define and share new concepts. These features can be utilized to facilitate the establishment of a decentralized informationmanaging system,
  18. Statistical approximation of the inverse problem in multivariate…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-78.pdf
    1 May 2019: However, since the experimental results as well as themodel predictions carry uncertainties, a new random variable expressed as the squareddifference of the experimental results and the model prediction can be defined,. ... doi:10.1016/0032-5910(91)80189-
  19. Extended First-Principles Thermochemistry for the Oxidation of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-180.pdf
    1 May 2019: 28] A. McNaught. The IUPAC International Chemical Identifier: InChI - A New Standardfor Molecular Informatics. ... J. Goodson, M. Kraft, and W. Wagner. A New NumericalApproach for the Simulation of the Growth of Inorganic Nanoparticles.
  20. A first principles development of a general anisotropic potential for …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-81.pdf
    1 May 2019: For comparison the W99 potential has been included and the plot shows energiescalculated with the new potential are noticeably less scattered. ... Figure 8 shows a comparison of the new benzene potential withSAPT(DFT) energies and the W99 potential for
  21. Dynamic polarity of curved aromatic soot precursors Preprint…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-220.pdf
    1 May 2019: Energy transfer in master equation simulations: A new approach. Inter-national Journal of Chemical Kinetics, 41(12):748–763,. ... Journal of Applied Crystallography, 1(1):1–19, 1968.doi:10.1107/S0021889868004930. [34] K. H. Homann. Fullerenes and
  22. Lifting a buried object: reverse hopper theory

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-129.pdf
    1 May 2019: A new theory, developed in this work, improves the understanding of what happens duringthe start-up of a multi-nozzle fluidised bed. ... The results show that the new theory is able to predictmost of the trends shown by the experimental data.
  23. Incorporating experimental uncertainties into multivariate…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-66.pdf
    1 May 2019: Butobviously there is a problem with set 5 and its model prediction after applying the op-timisation procedure in which a new set of model parameters is found and the a ... of the uncertainty interval of the model prediction using the new set of model
  24. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-30.pdf
    1 May 2019: New emissions regulations make it necessary to reduce the amountof soot formed during combustion drastically. ... Anumber of applications are presented in the next section. Finally, some new areasfor future research are identified.
  25. Bayesian Error Propagation for a Kinetic Model of n-Propylbenzene…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-133.pdf
    1 May 2019: Wang. A new approach toresponse surface development for detailed gas-phase and surface reaction kineticmodel optimization. ... Springer Verlag, New York, 1984. [19] M. Frenklach. Systematic optimization of a detailed kinetic model using a methaneignition
  26. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-189.pdf
    1 May 2019: new application requirements.
  27. Decomposition of Tetraethoxysilane and Related Compounds

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-75.pdf
    1 May 2019: The new thermochemical data havebeen utilized to derive equilibrium compositions resulting from the gas-phase decompo-sition of TEOS at a pressure of 1 atmosphere over a temperature range of 0 ... J. Cohen, D. J. Tozer, and N. C. Handy. Development
  28. Applying response surface methodology to multidimensional granulation …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-56.pdf
    1 May 2019: In the current study we make use of a new kernel with the following. ... A new component sr isformed from external and internal liquid, le and li.
  29. c4e10-frame.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-10.pdf
    1 May 2019: update c if a new particle is added or an existing particle removed fromthe system. ... Eibeck & Wagner [24], and Wagner [26] describe the new approach which they callthe mass flow algorithm.
  30. Simulating the Structural Evolution of Droplets Following Shell…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-63.pdf
    1 May 2019: unlike the models discussed above, the new framework is ca-pable of simulating multiple dried particle morphologies. ... In contrast,the flexibility afforded by the new framework permits simulation of multiple dried-particlemorphologies.
  31. Modelling Soot Formation in a Benchmark Ethylene Stagnation Flame…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-212.pdf
    1 May 2019: with a new detailed population balance model employ-ing a two-step simulation methodology. ... The capability of the new model to predictPSDs in a premixed stagnation flame is investigated.
  32. Investigating the Influence of Injection Timing and Piston Bowl…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-65.pdf
    1 May 2019: The authors are aware of the lack of the sub-gridturbulence-kinetics interaction and future work will focus on a new closure model. ... new closure model.
  33. FrameBK.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-7.pdf
    1 May 2019: the new algorithm. ... A new inflow-outflow algorithm is derived based on the analytical solutions.
  34. Degree of crosslinking in combustion carbons Preprint Cambridge…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-205.pdf
    1 May 2019: F. Harling. Progressive oxidation of selected particles ofcarbon black: further evidence for a new microstructural model. ... doi:10.1021/jp800483h. [30] K.-H. Homann. Fullerenes and soot formation – new pathways to largeparticles in flames.
  35. JPC_PostRev_jdh_23apr_b

    https://como.ceb.cam.ac.uk/media/seminars/JPC_inpress_April24_2008.pdf
    1 May 2019: Future work will include use of these new results in an evaluation of the second virial coefficient. ... In Applied Combustion Diagnostics; Kohse-Höinghaus, K., Jeffries, J. B., Eds.; Taylor and Francis: New York, 2002; pp 359.
  36. Addressing numerical challenges of population balance models for…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-211.pdf
    1 May 2019: If the new size is still in M, i.e. j Nthresh, the indices iand j are altered accordingly (Fig. ... 3, solid horizontal arrows). 2. If the new size exceeds the threshold size, i.e.
  37. On the parameterisation of process flow sheet models

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-166.pdf
    1 May 2019: 3. The simulation was evaluated with the new inputs. 4. MoDS retrieved values of user-specified outputs. ... Thisis a new approach different from generally used least square method described by Ziehnand Tomlin [71].
  38. Impact of powder dispersion on a wet-granulation system

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-135.pdf
    1 May 2019: Material retained in each sieve class was separately collected untilsufficient quantities of each type had been collected to construct new distributions.
  39. HCCI Combustion Control Using Dual-Fuel Approach: Experimental and…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-114.pdf
    1 May 2019: The paper also suggests a new way for controlling HCCI combustion based on maximization of obtained work rather than the conventional phasing control. ... The paper also suggests a new way for controllingHCCI combustion based on maximization of obtained
  40. Multiobjective optimization of a kinetics-based HCCI model using…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-106.pdf
    1 May 2019: Aiming atminimizing the objective functions, the genetic algorithm selects a new combination ofvalues for the optimization variables and writes it to the input files of the SRM. ... mutations) allowed from time to time in order to explore new regions in
  41. A new methodology to calculate process rates in a KMC model of PAH…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-224.pdf
    1 May 2019: A new methodology to calculate process rates in aKMC model of PAH growth. ... to the highstabilisation that the formation of a new aromatic ring can provide.
  42. A New Model for the Drying of Droplets Containing Suspended Solids…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-59.pdf
    1 May 2019: Preprint ISSN 1473 – 4273. A New Model for the Drying of Droplets ContainingSuspended Solids after Shell Formation. ... Ṅsink = ksinkN , (39). which, included in (35) gives a new solids flux to the growing wall,.
  43. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-221.pdf
    1 May 2019: 2 Department of Chemical Engineeringand Biotechnology,University of Cambridge,New Museums Site,Pembroke Street,Cambridge, CB2 3RAUnited Kingdom. ... This is because it is cheaper to build a larger pipeline thanto construct a new one.
  44. The inverse problem in granulation modelling – two different…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-96.pdf
    1 May 2019: Choice of points New coded variables x̃ are introduced for the creation of the responsesurfaces, so that. ... while t < T do. 3 Propose a new state x′ sampled from (any) proposal density q(x x(t)).4 Compute the quantity.
  45. A joint moment projection method and maximum entropy approach for…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-244.pdf
    20 Nov 2019: The purpose of this paper is to present a new approach for simulating soot formationin diesel engines. ... 18. 5 Conclusion. This work presents a new approach, a joint moment projection method (MPM) and max-imum entropy (ME) reconstruction, for
  46. Bayesian parameter estimation for a jet-milling model using…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-109.pdf
    1 May 2019: while i < N do. 3 Propose a new state x′ sampled from (any) proposal density q(x x(i)).4 Compute the quantity. ... while i < N do. 3 Propose a new state (x′,T ′) sampled from proposal densityqρ((x.
  47. A Stochastic Algorithm for Parametric Sensitivity in…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-72.pdf
    1 May 2019: Furthermore, two methods ofestablishing e ien y' are onsidered and the new algorithm is found to besigni antly more e ient. ... Two parti les of masses x and y oagulate at rate K(x, y) to reate a new parti le of mass x y: The parti les xand y are removed
  48. Multivariate Soot Particle Models

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-60.pdf
    1 May 2019: Clearlyadding an additional carbon to a bay generates a new ring, which in turns affects the nextneighbouring site of the bay.
  49. Modelling PAH curvature in laminar premixed flames using a detailed…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-161.pdf
    1 May 2019: In C. Keenan (Ed.), ACM SIGGRAPH 2013 courses(pp. (16–18)). ACM: New York, 2013. ... Carbon, 38:597–614, 2000. doi:10.1016/S0008-6223(99)00149-9. [27] K.-H. Homann. Fullerenes and soot formation–new pathways to large particles inflames.
  50. Simulation of soot particle morphology in a premixed ethylene…

    https://como.ceb.cam.ac.uk/media/preprints/preprint_SiFUWy0.pdf
    5 Aug 2019: Simulation of soot particle morphology in a premixed ethylene stagnation flame. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. Simulation of soot particle morphology in apremixed ethylene stagnation flame.
  51. Detailed Population Balance Modelling of TiO2 Synthesis in an…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-176.pdf
    1 May 2019: form a new particle [53].

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