Full List of Preprints with a Numerics theme.

299: On the role of C₄ and C₅ products in electrochemical CO₂ reduction

Simon D. Rihm, Mikhail K. Kovalev, Alexei A. Lapkin, Joel W. Ager, and Markus Kraft, Technical Report 299, c4e-Preprint Series, Cambridge, 2022.

289: Modelling a detailed kinetic mechanism for electrocatalytic reduction of CO₂

Simon D. Rihm, Jethro Akroyd, and Markus Kraft, Technical Report 289, c4e-Preprint Series, Cambridge, 2022.

278: Detailed modelling of aerosol growth dynamics

Astrid Boje and Markus Kraft, Technical Report 278, c4e-Preprint Series, Cambridge, 2021.

268: Predicting power conversion efficiency of organic photovoltaics: models and data analysis

Andreas Eibeck, Daniel Nurkowski, Angiras Menon, Jiaru Bai, Jinkui Wu, Li Zhou, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 268, c4e-Preprint Series, Cambridge, 2021.

211: A hybrid particle-number and particle model for efficient solution of population balance equations

Astrid Boje, Jethro Akroyd, and Markus Kraft, Technical Report 211, c4e-Preprint Series, Cambridge, 2018.

198: Bivariate extension of the moment projection method for the particle population balance dynamics

Shaohua Wu, Casper Lindberg, Jethro Akroyd, Wenming Yang, and Markus Kraft, Technical Report 198, c4e-Preprint Series, Cambridge, 2018.

197: Learning based Evolutionary Assistive Paradigm for Surrogate Selection (LEAPS2)

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Technical Report 197, c4e-Preprint Series, Cambridge, 2018.

195: Analysing the effect of screw configuration using a stochastic twin-screw granulation model

Andrew D. McGuire, Sebastian Mosbach, Gavin Reynolds, Robert I. A. Patterson, Eric J. Bringley, Nick A. Eaves, Jochen Dreyer, and Markus Kraft, Technical Report 195, c4e-Preprint Series, Cambridge, 2018.

192: A high-dimensional, stochastic model for twin-screw granulation - Part 2: Numerical methodology

Andrew D. McGuire, Sebastian Mosbach, Kok Foong Lee, Gavin Reynolds, and Markus Kraft, Technical Report 192, c4e-Preprint Series, Cambridge, 2017.

189: An ontology framework for information modeling and management of eco-industrial parks

Li Zhou, Chuan Zhang, Iftekhar A. Karimi, and Markus Kraft, Technical Report 189, c4e-Preprint Series, Cambridge, 2017.

186: The Mathematical Foundations of An Efficient Stochastic Algorithm For Solving Population Balance Equations

Alastair J. Smith, Clive G. Wells, and Markus Kraft, Technical Report 186, c4e-Preprint Series, Cambridge, 2017.

185: Evaluating Smart Sampling for Constructing Multidimensional Surrogate Models

Sushant S. Garud, Iftekhar A. Karimi, George Brownbridge, and Markus Kraft, Technical Report 185, c4e-Preprint Series, Cambridge, 2017.

184: Machine learning approach for constructing surrogates of a biodiesel plant flow sheet model

Xueheng Qiu, Janusz Sikorski, Sushant S. Garud, Ponnuthurai Nagaratnam Suganthan, and Markus Kraft, Technical Report 184, c4e-Preprint Series, Cambridge, 2017.

183: A New Iterative Scheme For Solving The Discrete Smoluchowski Equation

Alastair J. Smith, Clive G. Wells, and Markus Kraft, Technical Report 183, c4e-Preprint Series, Cambridge, 2017.

182: Design of Computer Experiments: A Review

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Technical Report 182, c4e-Preprint Series, Cambridge, 2017.

181: Towards a novel ontological infrastructure for chemical process simulation and optimization in the context of eco-industrial parks

Li Zhou, Ming Pan, Janusz Sikorski, Sushant S. Garud, Leonardus Kevin Aditya, Martin J. Kleinelanghorst, Iftekhar A. Karimi, and Markus Kraft, Technical Report 181, c4e-Preprint Series, Cambridge, 2017.

179: A Systematic Method to Estimate and Validate Enthalpies of Formation Using Error-Cancelling Balanced Reactions

Philipp Buerger, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 179, c4e-Preprint Series, Cambridge, 2017.

178: Blockchain technology in the chemical industry: machine-to-machine electricity market

Janusz Sikorski, Joy Haughton, and Markus Kraft, Technical Report 178, c4e-Preprint Series, Cambridge, 2016.

173: A numerical scheme for the Random Cloud Model

Markus Kraft and Wolfgang Wagner, Technical Report 173, c4e-Preprint Series, Cambridge, 2016.

172: Extension of moment projection method to the fragmentation process

Shaohua Wu, Edward K. Y. Yapp, Jethro Akroyd, Sebastian Mosbach, Rong Xu, Wenming Yang, and Markus Kraft, Technical Report 172, c4e-Preprint Series, Cambridge, 2016.

171: A Big Data Framework to Validate Thermodynamic Data for Chemical Species

Philipp Buerger, Jethro Akroyd, Jacob W. Martin, and Markus Kraft, Technical Report 171, c4e-Preprint Series, Cambridge, 2016.

170: Development of a multi-compartment population balance model for high-shear wet granulation with Discrete Element Method

Kok Foong Lee, Maksym Dosta, Andrew D. McGuire, Sebastian Mosbach, Wolfgang Wagner, Stefan Heinrich, and Markus Kraft, Technical Report 170, c4e-Preprint Series, Cambridge, 2016.

168: A moment projection method for population balance dynamics with a shrinkage term

Shaohua Wu, Edward K. Y. Yapp, Jethro Akroyd, Sebastian Mosbach, Rong Xu, Wenming Yang, and Markus Kraft, Technical Report 168, c4e-Preprint Series, Cambridge, 2016.

166: On the parameterisation of process flow sheet models

Janusz Sikorski, George Brownbridge, Sushant S. Garud, Sebastian Mosbach, Iftekhar A. Karimi, and Markus Kraft, Technical Report 166, c4e-Preprint Series, Cambridge, 2016.

164: Design technologies for eco-industrial parks: from unit operations to processes, plants and industrial networks

Ming Pan, Janusz Sikorski, Jethro Akroyd, Sebastian Mosbach, Raymond Lau, and Markus Kraft, Technical Report 164, c4e-Preprint Series, Cambridge, 2016.

162: Outlier analysis for a silicon nanoparticle population balance model

Sebastian Mosbach, William J. Menz, and Markus Kraft, Technical Report 162, c4e-Preprint Series, Cambridge, 2015.

159: Numerical simulation and parametric sensitivity study of optical band gap in a laminar co-flow ethylene diffusion flame

Edward K. Y. Yapp, Robert I. A. Patterson, Jethro Akroyd, Sebastian Mosbach, Erin M. Adkins, J. Houston Miller, and Markus Kraft, Technical Report 159, c4e-Preprint Series, Cambridge, 2015.

154: Stochastic weighted particle methods for population balance equations with coagulation, fragmentation and spatial inhomogeneity

Kok Foong Lee, Robert I. A. Patterson, Wolfgang Wagner, and Markus Kraft, Technical Report 154, c4e-Preprint Series, Cambridge, 2015.

152: Quantitative tools for cultivating symbiosis in industrial parks; a literature review

Catharine A. Kastner, Raymond Lau, and Markus Kraft, Technical Report 152, c4e-Preprint Series, Cambridge, 2015.

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

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

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

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

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

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

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

Sebastian Mosbach and Markus Kraft, Technical Report 138, c4e-Preprint Series, Cambridge, 2013.

122: Impact of powder characteristics on a particle granulation model

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

91: Automated IC engine model development with uncertainty propagation

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

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

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

84: The future of computational modelling in reaction engineering

Markus Kraft and Sebastian Mosbach, Technical Report 84, c4e-Preprint Series, Cambridge, 2009.

82: Resolving conflicting parameter estimates in multivariate population balance models

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

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

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

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

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

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

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

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

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

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

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

57: Emission Control: Simultaneous NO-Soot Reduction

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

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

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

47: Weighted particle methods for the Smoluchowski coagulation equation

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

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

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

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

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

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

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

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

Alexander Vikhansky and Markus Kraft, Technical Report 33, c4e-Preprint Series, Cambridge, 2005.

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

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

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

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

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

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

23: Bivariate Stochastic Modelling of Nanoparticles

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

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

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

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

Alexander Vikhansky and Markus Kraft, Technical Report 21, c4e-Preprint Series, Cambridge, 2004.

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

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

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

Sebastian Mosbach and Markus Kraft, Technical Report 17, c4e-Preprint Series, Cambridge, 2003.

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

Alexander Vikhansky and Markus Kraft, Technical Report 16, c4e-Preprint Series, Cambridge, 2003.

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

Alexander Vikhansky and Markus Kraft, Technical Report 15, c4e-Preprint Series, Cambridge, 2003.

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

Alexander Vikhansky and Markus Kraft, Technical Report 14, c4e-Preprint Series, Cambridge, 2003.

13: Stochastic Solution of Ordinary Differential Equations

Sebastian Mosbach and Markus Kraft, Technical Report 13, c4e-Preprint Series, Cambridge, 2003.

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

Sebastian Mosbach and Markus Kraft, Technical Report 12, c4e-Preprint Series, Cambridge, 2003.

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

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

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

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

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

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

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

Amit Bhave and Markus Kraft, Technical Report 7, c4e-Preprint Series, Cambridge, 2002.

5: Two approaches to the simulation of silica particle synthesis

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

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

Michael Balthasar and Markus Kraft, Technical Report 4, c4e-Preprint Series, Cambridge, 2002.

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

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