Full List of the Computational Modelling Group's Preprints.

150: Applying Industry 4.0 to the Jurong Island Eco-industrial Park

ref: Technical Report 150, c4e-Preprint Series, Cambridge, 2014 by Ming Pan, Janusz Sikorski, Catharine A Kastner, Jethro Akroyd, Sebastian Mosbach, R. Lau, and Markus Kraft

149: A multi-compartment population balance model for high shear granulation

ref: Technical Report 149, c4e-Preprint Series, Cambridge, 2014 by Kok Foong Lee, Sebastian Mosbach, Markus Kraft, and Wolfgang Wagner

148: Numerical simulation and parametric sensitivity study of particle size distributions in a burner-stabilised stagnation flame

ref: Technical Report 148, c4e-Preprint Series, Cambridge, 2014 by Edward K. Y. Yapp, Dongping Chen, Jethro Akroyd, Sebastian Mosbach, Markus Kraft, and Hai Wang

147: Ab initio variational transition state theory and master equation study of the reaction (OH)3SiOCH2+CH3 <=> (OH)3SiOC2H5

ref: Technical Report 147, c4e-Preprint Series, Cambridge, 2014 by Daniel Nurkowski, Stephen J. Klippenstein, Yuri Georgievskii, Marco Verdicchio, Ahren W. Jasper, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft

146: Screening and techno-economic assessment of biomass-based power generation with CCS technologies to meet 2050 CO2 targets

ref: Technical Report 146, c4e-Preprint Series, Cambridge, 2014 by Amit Bhave, Richard H.S. Taylor, Paul Fennell, William R. Livingston, Nilay Shah, Niall Mac Dowell, John Dennis, Markus Kraft, Mohammed Pourkashanian, Mathieu Insa, Jenny Jones, Nigel Burdett, Ausilio Bauen, Corinne Beal, Andrew J Smallbone, and Jethro Akroyd

145: Microkinetic Modeling of Fischer-Tropsch Synthesis over Cobalt Catalysts

ref: Technical Report 145, c4e-Preprint Series, Cambridge, 2014 by Pooya Azadi, George Brownbridge, Immanuel Kemp, Sebastian Mosbach, John. S. Dennis, and Markus Kraft

144: Simulation and Life Cycle Assessment of Algae Gasification Process in Dual Fluidized Bed Gasifiers

ref: Technical Report 144, c4e-Preprint Series, Cambridge, 2014 by Pooya Azadi, George Brownbridge, Sebastian Mosbach, Oliver R. Inderwildi, and Markus Kraft

143: Solid-liquid transitions in homogenous ovalene, hexabenzocoronene and circumcoronene clusters: A molecular dynamics study

ref: Technical Report 143, c4e-Preprint Series, Cambridge, 2014 by Dongping Chen, Jethro Akroyd, Sebastian Mosbach, Daniel Opalka, and Markus Kraft

142: Particle Formation and Models in Internal Combustion Engines

ref: Technical Report 142, c4e-Preprint Series, Cambridge, 2014 by David Kittelson and Markus Kraft

141: Global sensitivity analysis of a model for silicon nanoparticle synthesis

ref: Technical Report 141, c4e-Preprint Series, Cambridge, 2014 by William J. Menz, George Brownbridge, and Markus Kraft

140: Sooting tendency of surrogates for the aromatic fractions of diesel and gasoline in a wick-fed diffusion flame

ref: Technical Report 140, c4e-Preprint Series, Cambridge, 2014 by Maria Botero, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft

139: Surface reactivity of homogenous polycyclic aromatic hydrocarbon nano-clusters

ref: Technical Report 139, c4e-Preprint Series, Cambridge, 2013 by Dongping Chen, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft

138: Influence of experimental observations on n-propylbenzene kinetic parameter estimates

ref: Technical Report 138, c4e-Preprint Series, Cambridge, 2013 by Sebastian Mosbach and Markus Kraft

137: A detailed kinetic study of the thermal decomposition of tetraethoxysilane

ref: Technical Report 137, c4e-Preprint Series, Cambridge, 2013 by Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, and Markus Kraft

136: Numerical simulation of the evolution of soot precursor particles in a laminar ethylene diffusion flame

ref: Technical Report 136, c4e-Preprint Series, Cambridge, 2013 by Edward K. Y. Yapp, Jethro Akroyd, Sebastian Mosbach, Anthony A Knobel, Alastair J. Smith, Dongping Chen, Erin M. Webster, J. Houston Miller, and Markus Kraft

135: Impact of powder dispersion on a wet-granulation system

ref: Technical Report 135, c4e-Preprint Series, Cambridge, 2013 by Catharine A Kastner, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft

134: Modelling Soot Formation: Model of Particle Formation

ref: Technical Report 134, c4e-Preprint Series, Cambridge, 2013 by Edward K. Y. Yapp and Markus Kraft

133: Bayesian Error Propagation for a Kinetic Model of n-Propylbenzene Oxidation in a Shock Tube

ref: Technical Report 133, c4e-Preprint Series, Cambridge, 2013 by Sebastian Mosbach, Je Hyeong Hong, George Brownbridge, Markus Kraft, S. Gudiyella, and K. Brezinsky

132: Multivariate characterisation of lactose powder and granules of a wet granulation process

ref: Technical Report 132, c4e-Preprint Series, Cambridge, 2013 by Jan-Georg Rosenboom, Sergiy Antonyuk, Stefan Heinrich, and Markus Kraft

131: Phase change of polycyclic aromatic hydrocarbon clusters by mass addition

ref: Technical Report 131, c4e-Preprint Series, Cambridge, 2013 by Dongping Chen, Tim Totton, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft

130: Size-dependent melting of polycyclic aromatic hydrocarbon (PAH) nano-clusters: A molecular dynamics study

ref: Technical Report 130, c4e-Preprint Series, Cambridge, 2013 by Dongping Chen, Tim Totton, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft

129: Lifting a buried object: reverse hopper theory

ref: Technical Report 129, c4e-Preprint Series, Cambridge, 2013 by Kok Foong Lee, John F. Davidson, Jethro Akroyd, and Markus Kraft

128: The Carbon Footprint and Non-Renewable Energy Demand of Algae-Derived Biodiesel

ref: Technical Report 128, c4e-Preprint Series, Cambridge, 2013 by Pooya Azadi, George Brownbridge, Sebastian Mosbach, Andrew J Smallbone, Amit Bhave, Oliver R. Inderwildi, and Markus Kraft

127: Stochastic solution of population balance equations for reactor networks

ref: Technical Report 127, c4e-Preprint Series, Cambridge, 2013 by William J. Menz, Jethro Akroyd, and Markus Kraft

126: Algae under Uncertainty: The Future of the Algal Biodiesel Economy

ref: Technical Report 126, c4e-Preprint Series, Cambridge, 2013 by George Brownbridge, Pooya Azadi, Andrew J Smallbone, Amit Bhave, Benjamin J Taylor, and Markus Kraft

125: Dual-Fuel Effects on HCCI Operating Range: Experiments with Primary Reference Fuels

ref: Technical Report 125, c4e-Preprint Series, Cambridge, 2013 by Ali M. Aldawood, Sebastian Mosbach, Markus Kraft, and Amer A. Amer

124: Sooting tendency of surrogates for the paraffinic fractions of diesel and gasoline in diffusion flames

ref: Technical Report , c4e-Preprint Series, Cambridge, 2013 by Maria Botero, Sebastian Mosbach, and Markus Kraft

123: The suitability of particle models in capturing aggregate structure and polydispersity

ref: Technical Report 123, c4e-Preprint Series, Cambridge, 2012 by William J. Menz and Markus Kraft

122: Impact of powder characteristics on a particle granulation model

ref: Technical Report 122, c4e-Preprint Series, Cambridge, 2012 by Catharine A Kastner, George Brownbridge, Sebastian Mosbach, and Markus Kraft

121: A new model for silicon nanoparticle synthesis

ref: Technical Report 121, c4e-Preprint Series, Cambridge, 2012 by William J. Menz and Markus Kraft

120: Application of stochastic weighted algorithms to a multidimensional silica particle model

ref: Technical Report 120, c4e-Preprint Series, Cambridge, 2012 by William J. Menz, Robert I. A. Patterson, Wolfgang Wagner, and Markus Kraft

119: Techno-economic assessment of carbon-negative algal biodiesel for transport solutions

ref: Technical Report 119, c4e-Preprint Series, Cambridge, 2012 by Benjamin J Taylor, Ning Xiao, Janusz Sikorski, Min Loon Yong, Tom Harris, Tim Helme, Andrew J Smallbone, Amit Bhave, and Markus Kraft

118: Identifying optimal operating points in terms of engineering constraints and regulated emissions in modern diesel engines

ref: Technical Report 118, c4e-Preprint Series, Cambridge, 2012 by Andrew J Smallbone, Amit Bhave, Aaron R Coble, Sebastian Mosbach, Markus Kraft, and Robert McDavid

117: The Semantics of Chemical Markup Language (CML) for Computational Chemistry: CompChem

ref: Technical Report 117, c4e-Preprint Series, Cambridge, 2012 by Weerapong Phadungsukanan, Markus Kraft, Joe Townsend, and Peter Murray-Rust

116: Simulating PM emissions and combustion stability in gasoline/diesel fuelled engines

ref: Technical Report 116, c4e-Preprint Series, Cambridge, 2012 by Andrew J Smallbone, Aaron R Coble, Sebastian Mosbach, Markus Kraft, Neal M. Morgan, and Gautam Kalghatgi

115: Implementing detailed chemistry and in-cylinder stratification into 0/1-D IC engine cycle simulation tools

ref: Technical Report 115, c4e-Preprint Series, Cambridge, 2012 by Aaron R Coble, Andrew J Smallbone, Amit Bhave, Sebastian Mosbach, Markus Kraft, Patrick Niven, and Steven Amphlett

114: HCCI Combustion Control Using Dual-Fuel Approach: Experimental and Modeling Investigations

ref: Technical Report 114, c4e-Preprint Series, Cambridge, 2012 by Ali M. Aldawood, Sebastian Mosbach, and Markus Kraft

113: A fully coupled simulation of PAH and soot growths with a population balance model

ref: Technical Report 113, c4e-Preprint Series, Cambridge, 2012 by Dongping Chen, Zakwan Zainuddin, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft

112: Using timescale analysis for optimising large chemical kinetic reaction mechanisms

ref: Technical Report 112, c4e-Preprint Series, Cambridge, 2012 by Rebecca Shaw, George Brownbridge, Sebastian Mosbach, Markus Kraft, and Terese Løvås

111: A virtual octane test simulator for gasoline/ethanol blends

ref: Technical Report 111, c4e-Preprint Series, Cambridge, 2012 by Andrew J Smallbone, Rebecca Shaw, Neal M. Morgan, and Markus Kraft

110: An Improved Methodology for Determining Threshold Sooting Indices from Smoke Point Lamps

ref: Technical Report 110, c4e-Preprint Series, Cambridge, 2011 by Roger Watson, Christopher Ness, Neal M. Morgan, and Markus Kraft

109: Bayesian parameter estimation for a jet-milling model using Metropolis-Hastings and Wang-Landau sampling

ref: Technical Report 109, c4e-Preprint Series, Cambridge, 2012 by Catharine A Kastner, Andreas Braumann, Peter L.W. Man, Sebastian Mosbach, George Brownbridge, Jethro Akroyd, Markus Kraft, and Chrismono Himawan

108: A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures

ref: Technical Report 108, c4e-Preprint Series, Cambridge, 2011 by Tim Totton, Alston Misquitta, and Markus Kraft

107: Assessing the PAHAP potential with application to the exfoliation energy of graphite

ref: Technical Report 107, c4e-Preprint Series, Cambridge, 2011 by Tim Totton, Alston Misquitta, and Markus Kraft

106: Multi-Objective Optimization of a Kinetics-Based HCCI Model Using Engine Data

ref: Technical Report 106, c4e-Preprint Series, Cambridge, 2011 by Ali M. Aldawood, Sebastian Mosbach, Markus Kraft, and Amer Amer

105: On a multivariate population balance model to describe the structure and composition of silica nanoparticles

ref: Technical Report 105, c4e-Preprint Series, Cambridge, 2011 by Shraddha Shekar, Alastair J. Smith, Markus Kraft, and Wolfgang Wagner

104: Iterative improvement of Bayesian parameter estimates for an engine model by means of experimental design

ref: Technical Report 104, c4e-Preprint Series, Cambridge, 2011 by Sebastian Mosbach, Andreas Braumann, Peter L.W. Man, Catharine A Kastner, George Brownbridge, and Markus Kraft

103: A multidimensional population balance model to describe the aerosol synthesis of silica nanoparticles

ref: Technical Report 103, c4e-Preprint Series, Cambridge, 2011 by Shraddha Shekar, Alastair J. Smith, William J. Menz, Markus Sander, and Markus Kraft

102: Synthesis of silicon nanoparticles with a narrow size distribution: a theoretical study

ref: Technical Report 102, c4e-Preprint Series, Cambridge, 2011 by William J. Menz, Shraddha Shekar, George Brownbridge, Richard Körmer, Wolfgang Peukert, and Markus Kraft

101: A transferable electrostatic model for intermolecular interactions between polycyclic aromatic hydrocarbons

ref: Technical Report 101, c4e-Preprint Series, Cambridge, 2011 by Tim Totton, Alston Misquitta, and Markus Kraft

100: Theoretical insights into the surface growth of rutile TiO2

ref: Technical Report 100, c4e-Preprint Series, Cambridge, 2011 by Raphael Shirley, Jethro Akroyd, Luke Miller, Oliver R. Inderwildi, Uwe Riedel, and Markus Kraft

99: A coupled CFD-population balance approach for nanoparticle synthesis in turbulent reacting flows

ref: Technical Report 99, c4e-Preprint Series, Cambridge, 2010 by Jethro Akroyd, Alastair J. Smith, Raphael Shirley, Laurence R. McGlashan, and Markus Kraft

98: Surface chemistry and particle shape. Processes for the evolution of aerosols in Titan’s atmosphere

ref: Technical Report 98, c4e-Preprint Series, Cambridge, 2010 by Panayotis Lavvas, Markus Sander, Markus Kraft, and Hiroshi Imanaka

97: First-principles thermochemistry for gas phase species in an industrial rutile chlorinator

ref: Technical Report 97, c4e-Preprint Series, Cambridge, 2010 by Raphael Shirley, Weerapong Phadungsukanan, Markus Kraft, Jim Downing, Nick Day, and Peter Murray-Rust

96: The inverse problem in granulation modelling – two different statistical approaches

ref: Technical Report 96, c4e-Preprint Series, Cambridge, 2010 by Andreas Braumann, Peter L.W. Man, and Markus Kraft

95: Comparison of the Stochastic Fields method and DQMoM-IEM as turbulent reaction closures

ref: Technical Report 95, c4e-Preprint Series, Cambridge, 2010 by Jethro Akroyd, Alastair J. Smith, Laurence R. McGlashan, and Markus Kraft

94: Simulating combustion of practical fuels and blends for modern engine applications using detailed chemical kinetics

ref: Technical Report 94, c4e-Preprint Series, Cambridge, 2010 by Andrew J Smallbone, Amit Bhave, Neal M. Morgan, Markus Kraft, Roger Cracknell, and Gautam Kalghatgi

93: Numerical study of a stochastic particle algorithm solving a multidimensional population balance model for high shear granulation

ref: Technical Report 93, c4e-Preprint Series, Cambridge, 2010 by Andreas Braumann, Markus Kraft, and Wolfgang Wagner

92: Moving Toward Establishing More Robust and Systematic Model Development for IC Engines Using Process Informatics

ref: Technical Report 92, c4e-Preprint Series, Cambridge, 2010 by Andrew J Smallbone, Amit Bhave, Andreas Braumann, Markus Kraft, Antonis Dris, and Robert McDavid

91: Automated IC engine model development with uncertainty propagation

ref: Technical Report 91, c4e-Preprint Series, Cambridge, 2010 by Andrew J Smallbone, George Brownbridge, Weerapong Phadungsukanan, Markus Kraft, and Bengt Johansson

90: Modelling Soot Formation in a DISI Engine

ref: Technical Report 90, c4e-Preprint Series, Cambridge, 2010 by Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, H. Wu, and N. Collings

89: A Fast Detailed-Chemistry Modelling Approach for Simulating the SI-HCCI Transition

ref: Technical Report 89, c4e-Preprint Series, Cambridge, 2010 by Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, H. Wu, and N. Collings

88: A Detailed Chemistry Simulation of the SI-HCCI Transition

ref: Technical Report 88, c4e-Preprint Series, Cambridge, 2010 by Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, H. Wu, and N. Collings

87: Developing the PAH-PP soot particle model using process informatics and uncertainty propagation

ref: Technical Report 87, c4e-Preprint Series, Cambridge, 2010 by Markus Sander, Robert I. A. Patterson, Andreas Braumann, Abhijeet Raj, and Markus Kraft

86: A novel pathway for flame synthesis of silica nanoparticles

ref: Technical Report 86, c4e-Preprint Series, Cambridge, 2010 by Shraddha Shekar, Markus Sander, Rebecca Shaw, Alastair J. Smith, Andreas Braumann, and Markus Kraft

85: First-principles thermochemistry for the combustion of TiCl4 in a methane flame

ref: Technical Report 85, c4e-Preprint Series, Cambridge, 2009 by Tim Totton, Raphael Shirley, and Markus Kraft

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 J 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