Full List of the Computational Modelling Group's Preprints.

84: The future of computational modelling in reaction engineering

ref: Technical Report 84, c4e-Preprint Series, Cambridge, 2009 by Markus Kraft and Sebastian Mosbach

83: A mechanistic study on the simultaneous reduction of soot and nitric oxide from diesel engine exhaust

ref: Technical Report 83, c4e-Preprint Series, Cambridge, 2009 by Abhijeet Raj, Markus Sander, and Markus Kraft

82: Resolving conflicting parameter estimates in multivariate population balance models

ref: Technical Report 82, c4e-Preprint Series, Cambridge, 2009 by Peter L.W. Man, Andreas Braumann, and Markus Kraft

81: A first principles development of a general anisotropic potential for polycyclic aromatic hydrocarbons

ref: Technical Report 81, c4e-Preprint Series, Cambridge, 2009 by Tim Totton, Alston Misquitta, and Markus Kraft

80: On the fractal dimension of soot particles

ref: Technical Report 80, c4e-Preprint Series, Cambridge, 2009 by Markus Sander, Robert I. A. Patterson, Abhijeet Raj, and Markus Kraft

79: Mapping Surrogate Gasoline Compositions into RON/MON Space

ref: Technical Report 79, c4e-Preprint Series, Cambridge, 2009 by Neal M. Morgan, Andrew Smallbone, Amit Bhave, Markus Kraft, Roger Cracknell, and Gautam Kalghatgi

78: Statistical approximation of the inverse problem in multivariate population balance modelling

ref: Technical Report 78, c4e-Preprint Series, Cambridge, 2009 by Andreas Braumann, Peter L.W. Man, and Markus Kraft

77: Modelling the Internal Structure of Nascent Soot Particles

ref: Technical Report 77, c4e-Preprint Series, Cambridge, 2009 by Tim Totton, Dwaipayan Chakrabarti, Alston Misquitta, Markus Sander, David Wales, and Markus Kraft

76: Numerical investigation of DQMoM-IEM as a turbulent reaction closure

ref: Technical Report 76, c4e-Preprint Series, Cambridge, 2009 by Jethro Akroyd, Alastair J. Smith, Laurence R. McGlashan, and Markus Kraft

75: First-Principles Thermochemistry for Silicon Species in the Decomposition of Tetraethoxysilane

ref: Technical Report 75, c4e-Preprint Series, Cambridge, 2009 by Weerapong Phadungsukanan, Shraddha Shekar, Raphael Shirley, Markus Sander, Richard H. West, and Markus Kraft

74: First-principles thermochemistry for the combustion of a TiCl₄ and AlCl₃ mix.

ref: Technical Report 74, c4e-Preprint Series, Cambridge, 2009 by Raphael Shirley, Yaoyao Liu, Tim Totton, Richard H. West, and Markus Kraft

73: A study on the coagulation of polycyclic aromatic hydrocarbon clusters to determine their collision efficiency

ref: Technical Report 73, c4e-Preprint Series, Cambridge, 2009 by Abhijeet Raj, Markus Sander, Vinod Janardhanan, and Markus Kraft

72: A Stochastic Algorithm for Parametric Sensitivity in Smoluchowski's Coagulation Equation

ref: Technical Report 72, c4e-Preprint Series, Cambridge, 2009 by I. F. Bailleul, Peter L.W. Man, and Markus Kraft

71: Electronic and optical properties of aluminium-doped anatase and rutile TiO₂ from ab initio calculations

ref: Technical Report 71, c4e-Preprint Series, Cambridge, 2009 by Raphael Shirley, Oliver R. Inderwildi, and Markus Kraft

70: Coupling algorithms for calculating sensitivities of Smoluchowski's Coagulation equation

ref: Technical Report 70, c4e-Preprint Series, Cambridge, 2009 by Peter L.W. Man, J. R. Norris, Ismael F. Bailleul, and Markus Kraft

69: New polycyclic aromatic hydrocarbon (PAH) surface processes to improve the model prediction of the composition of combustion-generated PAHs and soot

ref: Technical Report 69, c4e-Preprint Series, Cambridge, 2009 by Abhijeet Raj, Peter L.W. Man, Tim Totton, Markus Sander, Raphael Shirley, and Markus Kraft

68: Control of HCCI Combustion Phasing during Transients by Hydrogen-Rich Gas: Investigations Using a Fast Detailed-Chemistry Full-Cycle Model

ref: Technical Report 68, c4e-Preprint Series, Cambridge, 2009 by Ali M. Aldawood, Sebastian Mosbach, and Markus Kraft

67: A detailed model for the sintering of polydispersed nanoparticle agglomerates

ref: Technical Report 67, c4e-Preprint Series, Cambridge, 2009 by Markus Sander, Richard H. West, Matthew S. Celnik, and Markus Kraft

66: Incorporating experimental uncertainties into multivariate granulation modelling

ref: Technical Report 66, c4e-Preprint Series, Cambridge, 2009 by Andreas Braumann and Markus Kraft

65: Influence of Injection Timing and Piston Bowl Geometry on Diesel PCCI Combustion and Emissions

ref: Technical Report 65, c4e-Preprint Series, Cambridge, 2009 by Li Cao, Amit Bhave, Haiyun Su, Sebastian Mosbach, Markus Kraft, Antonis Dris, and Robert M. McDavid

64: A Detailed Chemistry Multi-cycle Simulation of a Gasoline Fuelled HCCI Engine Operated with NVO

ref: Technical Report 64, c4e-Preprint Series, Cambridge, 2009 by Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings

63: Simulating the Structural Evolution of Droplets Following Shell Formation

ref: Technical Report 63, c4e-Preprint Series, Cambridge, 2008 by Christopher S. Handscomb and Markus Kraft

62: Investigating Cycle to Cycle Variations in an SI Engine Through Experiments and a New Computational Model

ref: Technical Report 62, c4e-Preprint Series, Cambridge, 2008 by Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings

61: Towards a detailed soot model for internal combustion engines

ref: Technical Report 61, c4e-Preprint Series, Cambridge, 2008 by Sebastian Mosbach, Matthew S. Celnik, Abhijeet Raj, Markus Kraft, Hongzhi R. Zhang, Shuichi Kubo, and Kyoung-Oh Kim

60: Multivariate Soot Particle Models

ref: Technical Report 60, c4e-Preprint Series, Cambridge, 2008 by Matthew S. Celnik, Abhijeet Raj, Sebastian Mosbach, Richard H. West, and Markus Kraft

59: A New Model for the Drying of Droplets Containing Suspended Solids after Shell Formation

ref: Technical Report 59, c4e-Preprint Series, Cambridge, 2008 by Christopher S. Handscomb, Markus Kraft, and Andrew E Bayly

58: A predictor-corrector algorithm for the coupling of stiff ODEs to a particle population balance

ref: Technical Report 58, c4e-Preprint Series, Cambridge, 2008 by Matthew S. Celnik, Robert I. A. Patterson, Markus Kraft, and Wolfgang Wagner

57: Emission Control: Simultaneous NO-Soot Reduction

ref: Technical Report 57, c4e-Preprint Series, Cambridge, 2008 by Markus Sander, Abhijeet Raj, Oliver R. Inderwildi, Markus Kraft, Sven Kureti, and Henning Bockhorn

56: Applying response surface methodology to multidimensional granulation modelling

ref: Technical Report 56, c4e-Preprint Series, Cambridge, 2008 by Andreas Braumann, Markus Kraft, and Paul R. Mort

55: A Detailed Kinetic model for Combustion Synthesis of Titania from TiCl₄

ref: Technical Report 55, c4e-Preprint Series, Cambridge, 2008 by Richard H. West, Raphael Shirley, Markus Kraft, C. Franklin Goldsmith, and William H. Green

54: Studying the Influence of Direct Injection on PCCI Combustion and Emissions at Engine Idle Condition Using Two dimensional CFD and Stochastic Reactor Model

ref: Technical Report 54, c4e-Preprint Series, Cambridge, 2008 by Li Cao, Haiyun Su, Sebastian Mosbach, Markus Kraft, and Amit Bhave

53: Modelling soot formation in a premixed flame using an aromatic-site soot model and an improved oxidation rate

ref: Technical Report 53, c4e-Preprint Series, Cambridge, 2007 by Matthew S. Celnik, Markus Sander, Abhijeet Raj, Richard H. West, and Markus Kraft

52: A statistical approach to develop a detailed soot growth model using PAH characteristics

ref: Technical Report 52, c4e-Preprint Series, Cambridge, 2007 by Abhijeet Raj, Matthew S. Celnik, Raphael Shirley, Markus Sander, Robert I. A. Patterson, Richard H. West, and Markus Kraft

51: An aromatic site description of soot particles

ref: Technical Report 51, c4e-Preprint Series, Cambridge, 2007 by Matthew S. Celnik, Abhijeet Raj, Richard H. West, Robert I. A. Patterson, and Markus Kraft

50: A New Model For The Drying of Droplets Containing Suspended Solids

ref: Technical Report 50, c4e-Preprint Series, Cambridge, 2007 by Christopher S. Handscomb, Markus Kraft, and Andrew E Bayly

49: Towards a Comprehensive Model of the Synthesis of TiO₂ particles from TiCl₄.

ref: Technical Report 49, c4e-Preprint Series, Cambridge, 2007 by Richard H. West, Matthew S. Celnik, Oliver R. Inderwildi, Markus Kraft, G. J. O. Beran, and William H. Green

48: Real-time evaluation of a detailed chemistry HCCI engine model using a tabulation technique

ref: Technical Report 48, c4e-Preprint Series, Cambridge, 2007 by Sebastian Mosbach, Ali M. Aldawood, and Markus Kraft

47: Weighted particle methods for the Smoluchowski coagulation equation

ref: Technical Report 47, c4e-Preprint Series, Cambridge, 2007 by Robert I. A. Patterson and Markus Kraft

46: Two-stage Fuel Direct Injection in a Diesel Fuelled HCCI Engine

ref: Technical Report 46, c4e-Preprint Series, Cambridge, 2007 by Haiyun Su, Sebastian Mosbach, Amit Bhave, Markus Kraft, Sanghoon Kook, and Choongsik Bae

45: Modes of Neck Growth in Nanoparticle Aggregates

ref: Technical Report 45, c4e-Preprint Series, Cambridge, 2007 by Neal M. Morgan, Robert I. A. Patterson, Abhijeet Raj, and Markus Kraft

44: Modelling gas-phase synthesis of single-walled carbon nanotubes on iron catalyst particles

ref: Technical Report 44, c4e-Preprint Series, Cambridge, 2007 by Matthew S. Celnik, Richard H. West, Neal M. Morgan, Markus Kraft, Anna Moisala, John Wen, William H. Green, and Henning Richter

43: Adsorption, Diffusion and Desorption of Chlorine on and from Rutile TiO₂{110}: A Theoretical Investigation

ref: Technical Report 43, c4e-Preprint Series, Cambridge, 2006 by Oliver R. Inderwildi and Markus Kraft

42: First-principles thermochemistry for the production of TiO₂ from TiCl₄

ref: Technical Report 42, c4e-Preprint Series, Cambridge, 2006 by Richard H. West, Gregory J. O. Beran, William H. Green, and Markus Kraft

41: Weblabs in Chemical Engineering Education

ref: Technical Report 41, c4e-Preprint Series, Cambridge, 2006 by Anders Selmer, Markus Kraft, Clark Colton, and Ralf Moros

40: Modelling and validation of granulation with heterogeneous binder dispersion and chemical reaction

ref: Technical Report 40, c4e-Preprint Series, Cambridge, 2006 by Andreas Braumann, Mike J. Goodson, Markus Kraft, and Paul R. Mort

39: Coupling a stochastic soot population balance to gas-phase chemistry using operator splitting

ref: Technical Report 39, c4e-Preprint Series, Cambridge, 2006 by Matthew S. Celnik, Robert I. A. Patterson, Markus Kraft, and Wolfgang Wagner

38: A simple model for the aggregate structure of soot particles

ref: Technical Report 38, c4e-Preprint Series, Cambridge, 2006 by Robert I. A. Patterson, Neal M. Morgan, and Markus Kraft

37: Numerical simulations of soot aggregation in premixed laminar flames

ref: Technical Report 37, c4e-Preprint Series, Cambridge, 2006 by Neal M. Morgan, Markus Kraft, Michael Balthasar, David Wong, Michael Frenklach, and Pablo Mitchell

36: A quantitative investigation into the accumulation of rounding errors in numerical ODE solution

ref: Technical Report 36, c4e-Preprint Series, Cambridge, 2005 by Sebastian Mosbach and Amanda G. Turner

35: Dual Injection HCCI Engine Simulation using a Stochastic Reactor Model

ref: Technical Report 35, c4e-Preprint Series, Cambridge, 2005 by Sebastian Mosbach, Haiyun Su, Markus Kraft, Amit Bhave, Fabian Mauss, Zhi Wang, and Jian-Xin Wang

34: Simulating a homogenous charge compression ignition engine fuelled with a DEE/EtOH blend

ref: Technical Report 34, c4e-Preprint Series, Cambridge, 2005 by Sebastian Mosbach, Markus Kraft, Amit Bhave, Fabian Mauss, J. Hunter Mack, and Robert W. Dibble

33: Two methods for sensitivity analysis of population balance equations by a Monte Carlo method

ref: Technical Report 33, c4e-Preprint Series, Cambridge, 2005 by Alexander Vikhansky and Markus Kraft

32: A stochastic approximation scheme and convergence theorem for particle interactions with perfectly reflecting boundaries

ref: Technical Report 32, c4e-Preprint Series, Cambridge, 2005 by Clive G. Wells

31: A New Computational Model for Simulating Direct Injection HCCI Engines

ref: Technical Report 31, c4e-Preprint Series, Cambridge, 2005 by Haiyun Su, Alexander Vikhansky, Sebastian Mosbach, Amit Bhave, Markus Kraft, and Fabian Mauss

30: Modelling of particulate processes

ref: Technical Report 30, c4e-Preprint Series, Cambridge, 2005 by Markus Kraft

29: Numerical simulation and sensitivity analysis of detailed soot particle size distribution in laminar premixed ethylene flames

ref: Technical Report 29, c4e-Preprint Series, Cambridge, 2005 by Jasdeep Singh, Robert I. A. Patterson, Markus Kraft, and Hai Wang

28: Population balance modelling of droplet size distribution in a RDC: inverse problem approach

ref: Technical Report 28 c4e-Preprint Series, Cambridge, 2005 by Alexander Vikhansky, Markus Kraft, M. Simon, S. Schmidt, and H.-J. Bart

27: Process Dynamics and Control Experiment Performed Across the Atlantic

ref: Technical Report 27, c4e-Preprint Series, Cambridge, 2004 by Anders Selmer, Mike J. Goodson, Markus Kraft, Siddhartha Sen, Faye McNeill, Barry S. Johnston, and Clark K. Colton

26: The Linear Process Deferment Algorithm: A new technique for solving population balance equations

ref: Technical Report 26, c4e-Preprint Series, Cambridge, 2004 by Robert I. A. Patterson, Jasdeep Singh, Michael Balthasar, Markus Kraft, and J. R. Norris

25: Modelling soot particle size distribution: Dynamics of pressure regimes

ref: Technical Report 25, c4e-Preprint Series, Cambridge, 2004 by Jasdeep Singh, Robert I. A. Patterson, Michael Balthasar, Markus Kraft, and Wolfgang Wagner

24: Analyzing the limits of a stable Homogeneous Charge Compression Ignition (HCCI) operation

ref: Technical Report 24, c4e-Preprint Series, Cambridge, 2004 by Amit Bhave, Markus Kraft, Aaron Oakley, Hua Zhao, and Fabian Mauss

23: Bivariate Stochastic Modelling of Nanoparticles

ref: Technical Report 23, c4e-Preprint Series, Cambridge, 2004 by Clive G. Wells, Neal M. Morgan, Markus Kraft, and Wolfgang Wagner

22: A New Numerical Approach for the Simulation of the Growth of Inorganic Nanoparticles

ref: Technical Report 22, c4e-Preprint Series, Cambridge, 2004 by Neal M. Morgan, Clive G. Wells, Mike J. Goodson, Markus Kraft, and Wolfgang Wagner

21: Conservative method for the reduction of the number of particles in the Monte Carlo simulation method for kinetic equations

ref: Technical Report 21, c4e-Preprint Series, Cambridge, 2004 by Alexander Vikhansky and Markus Kraft

20: Stochastic modelling of soot particle size and age distributions in laminar premixed flames

ref: Technical Report 20, c4e-Preprint Series, Cambridge, 2003 by Jasdeep Singh, Michael Balthasar, Markus Kraft, and Wolfgang Wagner

19: Modelling Nanoparticle Dynamics: Coagulation, Sintering, Particle Inception and Surface Growth

ref: Technical Report 19, c4e-Preprint Series, Cambridge, 2003 by Neal M. Morgan, Clive G. Wells, Markus Kraft, and Wolfgang Wagner

18: Sources of emissions of CO and the Effects of Varying the Octane Number in an HCCI Engine

ref: Technical Report 18, c4e-Preprint Series, Cambridge, 2004 by Amit Bhave, Markus Kraft, Luca Montorsi, and Fabian Mauss

17: A New Method for the Automatic Elimination of Reactions from Large Mechanisms

ref: Technical Report 17, c4e-Preprint Series, Cambridge, 2003 by Sebastian Mosbach and Markus Kraft

16: A Monte Carlo method for identifcation and sensitivity analysis of coagulation processes

ref: Technical Report 16, c4e-Preprint Series, Cambridge, 2003 by Alexander Vikhansky and Markus Kraft

15: A combined CFD-population balance approach for multiphase turbulent fows

ref: Technical Report 15, c4e-Preprint Series, Cambridge, 2003 by Alexander Vikhansky and Markus Kraft

14: A single particle method for the stochastic simulation of coagulation processes

ref: Technical Report 14, c4e-Preprint Series, Cambridge, 2003 by Alexander Vikhansky and Markus Kraft

13: Stochastic Solution of Ordinary Differential Equations

ref: Technical Report 13, c4e-Preprint Series, Cambridge, 2003 by Sebastian Mosbach and Markus Kraft

12: A New Explicit Numerical Scheme For Large and Stiff Systems of Ordinary Differential Equations

ref: Technical Report 12, c4e-Preprint Series, Cambridge, 2003 by Sebastian Mosbach and Markus Kraft

11: A Web Teaching Module for Stochastic Modelling in Chemical Engineering

ref: Technical Report 11, c4e-Preprint Series, Cambridge, 2003 by Markus Kraft, Sebastian Mosbach, and Wolfgang Wagner

10: Direct simulations and mass flow algorithms to solve a sintering-coagulation equation

ref: Technical Report 10, c4e-Preprint Series, Cambridge, 2003 by Clive G. Wells and Markus Kraft

9: Stochastic simulation of coalescence and breakage processes: a practical study

ref: Technical Report 9, c4e-Preprint Series, Cambridge, 2002 by Mike J. Goodson and Markus Kraft

8: Numerical Analysis of a Natural Gas Fuelled HCCI Engine with Exhaust Gas Recirculation Using a Stochastic Reactor Model

ref: Technical Report 8, c4e-Preprint Series, Cambridge, 2002 by Amit Bhave, Michael Balthasar, Markus Kraft, and Fabian Mauss

7: Partially Stirred Reactor Model: Analytical Solutions and Numerical Convergence Study of PDF/Monte Carlo Method

ref: Technical Report 7, c4e-Preprint Series, Cambridge, 2002 by Amit Bhave and Markus Kraft

6: A detailed chemistry approximation for turbulent combustion models based on the probability density function

ref: Technical Report 6, c4e-Preprint Series, Cambridge, 2002 by Haiyun Su, Markus Kraft, and Wolfgang Wagner

5: Two approaches to the simulation of silica particle synthesis

ref: Technical Report 5, c4e-Preprint Series, Cambridge, 2002 by Dirk Grosschmidt, Henning Bockhorn, Mike J. Goodson, and Markus Kraft

4: A stochastic approach to solve the particle size distribution function of soot particles in laminar premixed flames

ref: Technical Report 4, c4e-Preprint Series, Cambridge, 2002 by Michael Balthasar and Markus Kraft

3: An Efficient Stochastic Algorithm For Simulating Nano-particle Dynamics

ref: Technical Report 3, c4e-Preprint Series, Cambridge, 2001 by Markus Kraft and Mike J. Goodson

2: Modelling the Polymerisation of Methyl Methacrylate (MMA) in a Partially Stirred Reactor

ref: Technical Report 2, c4e-Preprint Series, Cambridge, 2001 by Jethro Akroyd, Markus Kraft, and Elmar Stöckelmann

1: Soot Formation in Turbulent Reacting Flows - a PDF Based Approach Applied to Carbon Black Production

ref: Technical Report 1, c4e-Preprint Series, Cambridge, 2000 by Michael Balthasar, Fabian Mauss, Anthony Knobel, and Markus Kraft