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  2. Stochastic numerics for the gas-phase synthesis of nanoparticles

    https://como.ceb.cam.ac.uk/media/presentations/mk306-invitedpresentation-snowbird-2011.pdf
    1 May 2019: PqPr Ps. Figure: Coagulation between two particles. Coagulation of particles Pq and Pr forms new particle Ps as:. ... Complete sintering. pi and pj replaced by new primary p′′k. Particle transforms due to complete sintering as:.
  3. A two-step simulation methodology for modelling stagnation flame…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-204.pdf
    1 May 2019: Kraft. A new model for silicon nanoparticle synthesis. Combust.Flame, 160:947–958, 2013. ... The linearprocess deferment algorithm: A new technique for solving population balance equa-tions.
  4. Real-time evaluation of a detailed chemistry HCCI engine model using…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-48.pdf
    1 May 2019: The new tool is intended to be used for performing a va-riety of otherwise exceedingly expensive computational tasks such as multi-cyclemulti-cylinder simulations, transient operation and control, optimization of
  5. Modelling Soot Formation: Model of Particle Formation

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-134.pdf
    1 May 2019: A step is accepted if the energy of the new geometry is less thanat the previous step. ... If the energy of the new geometry is greater than before, an accept-reject scheme such as the Metropolis criterion is used [12] which helps the basin-hopping.
  6. Simulating combustion of practical fuels and blends for modern engine …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-94.pdf
    1 May 2019: 6 Conclusions. Often the only combustion characteristics available for practical fuels are the fuel RONand MON, hence a new method to generate tri-component surrogate blends based on thesemetrics was outlined. ... Johansson. Investigationof combustion
  7. A stochastic sintering model acting between neighboring primary…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-67.pdf
    1 May 2019: This is included in the model by replacing primary pi and pjby a new primary pk. ... The numbering of the primaries is rearranged and the new primary is calledp1.
  8. Parameter estimation and statistical analysis of a new model for…

    https://como.ceb.cam.ac.uk/media/presentations/wjm34-presentation-bangalore-2013.pdf
    1 May 2019: Parameter estimation and statistical analysis of anew model for silicon nanoparticle synthesis. W.J. Menz, G.P.E. Brownbridge, M. Kraft. Computational Modelling GroupDepartment of Chemical Engineering and Biotechnology. University of Cambridge. 31
  9. Application of stochastic weighted algorithms to a multidimensional…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-120.pdf
    1 May 2019: Goodson, M. Kraft, and W. Wagner. A new numericalapproach for the simulation of the growth of inorganic nanoparticles. ... Wagner. A new method for calculatingthe diameters of partially-sintered nanoparticles and its effect on simulated particleproperties
  10. 10 -3 10 -2 10 -1 1 Mol e ...

    https://como.ceb.cam.ac.uk/media/presentations/ras81,wp214-poster-beijing-2010.pdf
    1 May 2019: Automatic molecule screening. Equilibrium. Carbon species new carbon containing spe-cies are investigated. ... Methane flameThe new thermochemistry presented here is used to investigate other reactive systems.
  11. (Initial page layout)

    https://como.ceb.cam.ac.uk/media/presentations/Topology_of_disordered_graphene_networks.pdf
    14 Aug 2019: In this work, we approach the problem using a new mesh-based topological analysis of carbon nanostructural models generated using reactive molecular dynamics.
  12. Microsoft PowerPoint - Shekar_5091

    https://como.ceb.cam.ac.uk/media/presentations/ss663-presentation-aachen-2010.pdf
    1 May 2019: Tech., 43, 978-989, 2009. New inception and surface growth steps have been incorporated in a previously developed stochastic particle model developed by Sander et al. ... Shraddha Shekarss663@cam.ac.uk. Conclusion. 1. New kinetic model proposed which
  13. Soot - Developing anisotropic potentials from first principles for ...

    https://como.ceb.cam.ac.uk/media/presentations/mk306-invitedpresentation-berlin-2009.pdf
    1 May 2019: Markus Kraftmk306@cam.ac.uk. New anisotropic potential. • Start with benzene – generalise to larger PAHs• Functional form:. • ... Isotropic potentials. How accurate are the potentials? Ab initio methods…. New anisotropic potential.
  14. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-21.pdf
    1 May 2019: Choose the pair for collision with probability. B̂(ui, vj)WiWjρw. 3. Generate a uniformly distributed unit vector e and create the new particleswith parameters. ... The weighttransfer function w during a collision of two particles with weights Wi and
  15. Microsoft PowerPoint - PBM_ss663_final

    https://como.ceb.cam.ac.uk/media/presentations/ss663-presentation-berlin-2010.pdf
    1 May 2019: Tech., 43, 978-989, 2009. New inception and surface growth steps have been incorporated in a previously developed stochastic particle model developed by Sander et al. ... Shraddha Shekarss663@cam.ac.uk. Conclusion. 1. New kinetic model proposed which
  16. Microsoft PowerPoint - WCPT_ss663_ms785.ppt [Read-Only]

    https://como.ceb.cam.ac.uk/media/presentations/ms785,%20ss663-presentation-nuremberg-2010.pdf
    1 May 2019: Tech., 43, 978-989, 2009. Surface growth. New inception and surface growth steps have been incorporated in a previously developed stochastic particle model developed by Sander et al. ... Shraddha Shekarss663@cam.ac.uk. Conclusion. 1. New kinetic model
  17. Talk-v-frame.dvi

    https://como.ceb.cam.ac.uk/media/presentations/ICDERS-tu2.pdf
    1 May 2019: New stochastic chemistry approximation• Partial equilibrium modification• Incorporation of stochastic chemistry approximation into the.
  18. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-14.pdf
    1 May 2019: As soon as the particle leaves the system, the new particle distributionfunction is recalculated. ... Uniformly choose anith particle. Generate a new particle according to distribution min and replacethe ith particle by this newly generated particle.
  19. c4e-frame.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-17.pdf
    1 May 2019: M subintervals of equal length via. tj = j tstopM. 4.1 Performance of the new algorithm. ... Kraft. A new explicit numerical scheme for large and stiffsystems of ordinary differential equations.
  20. Modes of Neck Growth in Nanoparticle Aggregates

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-45.pdf
    1 May 2019: Then a new model, the ‘Conical Frustum’model, which concentrates the growth in the necks between newly coagulated particleswill be presented. ... The linear processdeferment algorithm: A new technique for solving population balance equations.SIAM J.
  21. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-165.pdf
    1 May 2019: Furthermore by making the experiment available on the internet, rather than an intranet,the experiment can be accessed and performed from any computer with an internet con-nection opening up new
  22. Modelling and validation of granulation with heterogeneous binder…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-40.pdf
    1 May 2019: If the two particles (j, k) coalesce, the properties of the new particle are calculated asfollows:. ... Θ =vfrag vfrag,min. vfrag,max vfrag,min, (34). 12. where vfrag denotes the total volume of the new fragment.
  23. Identifying optimal operating points in terms of engineering…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-118.pdf
    1 May 2019: Christensen, and B. Johansson. Investigationof combustion emissions in a homogeneous charge compression injection engine:Measurements and a new computational model.
  24. Numerical simulation of the evolution of nascent soot particles in a…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-136.pdf
    1 May 2019: New York: Oxford University Press, 2000. [10] N. Fuchs. The mechanics of aerosols. ... New York: Dover, 1989. [11] J. Happold. Geschichtete polyzyklische aromatische Kohlenwasserstoffe alsBausteine der Rußbildung.
  25. Slide 1

    https://como.ceb.cam.ac.uk/media/presentations/mk306-invitedpresentation-delft-2012.pdf
    1 May 2019: Engine and fuel optimisation with new technologies such as low temperature.
  26. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-23.pdf
    1 May 2019: We add a term to the Smoluchowski coagulation equation thatdescribes the deposition of new mass onto the surface of particles. ... Technometrics, 10:133–148, 1968. [11] A.A. Lushnikov. Some new aspects of coagulation theory.
  27. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-150.pdf
    1 May 2019: gies. Abstract. This paper presents new insights into the implementation of Industry 4.0 tech-nologies (novel mathematical and computer-based methods) for designing and opti-mising the eco-industrial park ... XML/RDF formats. Client. Process/ software.
  28. c4e-frame.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-12.pdf
    1 May 2019: The new algorithm possesses one free input parameter, namely the absolute errortolerance ATOL. ... This is the case forthe new algorithm due to its simple explicit structure.
  29. On the fractal dimension of soot particles

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-80.pdf
    1 May 2019: 4] by showing their data is consistent with simulations ofparticle growth carried out using a new stochastic particle model.The model is based on a stochastic algorithm used to simulate the
  30. c4e-frame.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-20.pdf
    1 May 2019: Once astep is performed the state of the particle system is updated and a new time step isdetermined. ... Also, a new method to accommo-date surface reactions was introduced to account for the different timescales betweenthe numerous processes.
  31. Modelling Soot Formation in a DISI Engine

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-90.pdf
    1 May 2019: Mauss, M. Christensen, and B. Johansson. Investigationof combustion emissions in a homogeneous charge compression injection engine:Measurements and a new computational model. ... Kraft, H. Wu, and N. Collings. Investigating Cycleto Cycle Variations in an
  32. Topology of disordered 3D graphene networks

    https://como.ceb.cam.ac.uk/media/preprints/c4e-preprint-237.pdf
    15 Aug 2019: A new mesh-based analysis showed that the global curvature was saddle-like. • ... 27]. In conclusion, the analysis of experimentally verified self-assembled nanocarbon models,using a new discrete surface mesh approach, allows for the topology of the
  33. Modelling the Internal Structure of Nascent Soot Particles

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-77.pdf
    1 May 2019: We have modifiedthe chemical mechanism by using a new rate for PAH oxidation [17]. ... Norris. The Linear ProcessDeferment Algorithm: A new technique for solving population balance equations.SIAM Journal of Scientific Computing, (28):303–320, 2006.
  34. Slide 1

    https://como.ceb.cam.ac.uk/media/presentations/mk306-invitedpresentation-oxford-2012A.pdf
    1 May 2019: Engine and fuel optimisation with new technologies such as low temperature.
  35. Frame_WebMod.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-11.pdf
    1 May 2019: and Jodl, H.-J. (1991). Chaos. A Program Collection for the PC,2nd edn, Springer-Verlag, Berlin-Heidelberg-New York. ... 8] Verhulst, F. (1990). Nonlinear Differential Equations and Dynamical Systems,Springer-Verlag, Berlin- Heidelberg-New York.
  36. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-110.pdf
    1 May 2019: 8. 3.2 Testing the New Methodology. 11. 4 Results and Discussion 12. ... Figure 4: Calibration of the Webcam. 10. 3.2 Testing the New Methodology.
  37. Weighted particle methods for the Smoluchowski coagulation equation

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-47.pdf
    1 May 2019: the new computational particles was automatically adjusted to simulate the physicalparticle inception rate. ... From this equation two new weighted particle simulation al-gorithms have been derived.
  38. New polycyclic aromatic hydrocarbon (PAH) surface processes to…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-69.pdf
    1 May 2019: appended with the proposed processes (new model) are variedwithin an order of magnitude. ... A new sequence of reactions forthe H-mediated desorption of C2H2 has been suggested.
  39. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-37.pdf
    1 May 2019: Another important feature of the new codeis the ability to handle essentially an infinite number of internal coordinates, therebytracking the positions and radii of every primary particle of the aggregate ... Norris. The linear process defermentalgorithm:
  40. GK5-frame-001.dvi

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-5.pdf
    1 May 2019: 2.2 Particle Formation and Particle Dynamics. In the nucleation process new particles are formed from matter that is not in a par-ticulate state [10]. ... Springer Verlag, 1994. [6] S.K. Friedlander. Smoke, Dust and Haze. Wiley, New York, 1977.
  41. A Multidimensional Population Balance Model for Granulation Andreas…

    https://como.ceb.cam.ac.uk/media/presentations/mk306-invitedpresentation-ludwigshafen-2010.pdf
    1 May 2019: simulations over time. Prof. Markus Kraftmk306@cam.ac.uk. Model with new value set II. • ... Model with new value set II. Example – Event statistics. Example – Event statistics II.
  42. The future of computational modelling in reaction engineering

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-84.pdf
    1 May 2019: need to be taken in order to createa new generation of engineering models. ... 6] W. H. Green. Predictive kinetics: A new approach for the 21st century.
  43. A c4e preprint by the Computational Modelling Group

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-183.pdf
    1 May 2019: A New Iterative Scheme For Solving The Discrete Smoluchowski Equation. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. ... E. Daisley and Marina Fuchs. C. N. Davies, Ed.Pergamon, London; Macmillan, New York, 1964.
  44. Simulating PM emissions and combustion stability in gasoline/diesel…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-116.pdf
    1 May 2019: Johansson. Investigationof combustion emissions in a homogeneous charge compression injection engine:Measurements and a new computational model.
  45. A simple model for the aggregate structure of soot particles

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-38.pdf
    1 May 2019: Distributions calculated for the new models are found to be insen-sitive to the collision diameter model used for coagulation. ... The linear processdeferment algorithm: A new technique for solving population balance equations.SIAM J.
  46. Towards a Comprehensive Model of the Synthesis of TiO2 particles from …

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-49.pdf
    1 May 2019: However, there are still many new primary particlesnucleating from the gas phase at this stage. ... Wagner. A new numericalapproach for the simulation of the growth of inorganic nanoparticles.
  47. Ion-induced soot nucleation using a new potential for curved aromatics

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-214.pdf
    1 May 2019: Highlights:. • A new intermolecular potential, curPAHIP, is developed for curved polycyclic aro-matic hydrocarbons. • ... A new potential, curPAHIP, was developed using the foundations of thepreviously developed isoPAHAP potential.
  48. The suitability of particle models in capturing aggregate structure…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-123.pdf
    1 May 2019: The common-surface matrix C is changed to reflect the structure of old particles Pq andPs, and their new connection. ... Goodson, M. Kraft, and W. Wagner. A new numericalapproach for the simulation of the growth of inorganic nanoparticles.
  49. Numerical study of a stochastic particle algorithm solving a…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-93.pdf
    1 May 2019: are added to the particle ensemble. 2. Coagulation: Two particles combine to a new particle. ... 1)). Moreover,(11) implies that the external surface area of the new particle satisfies (cf.
  50. Cambridge Centre forComputational Chemical Engineering University of…

    https://como.ceb.cam.ac.uk/media/preprints/c4e-Preprint-6.pdf
    1 May 2019: 105, the new algorithm is about 20 times faster than theoriginal one, without influencing precision. ... Consequently, it is proved that the new algo-rithm is efficient. 3.2.
  51. Microsoft PowerPoint - Inverse_problem_Granulation_20100311_final

    https://como.ceb.cam.ac.uk/media/presentations/mk306-invitedpresentation-greenwich-2010.pdf
    1 May 2019: Model with new value set. • Experiments vs. simulations over time.

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