• Full Listing

Full List of the Computational Modelling Group's Preprints.

269: The role of oxygenated species in the growth of graphene, fullerenes and carbonaceous particles

Gustavo Leon, Jacob W. Martin, Eric J. Bringley, Jethro Akroyd, and Markus Kraft, Technical Report 269, 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.

267: Self-assembly of curved aromatic molecules in nanoparticles

Kimberly L. Bowal, Jacob W. Martin, and Markus Kraft, Technical Report 267, c4e-Preprint Series, Cambridge, 2021.

266: A Question Answering System for Chemistry

Xiaochi Zhou, Daniel Nurkowski, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Technical Report 266, c4e-Preprint Series, Cambridge, 2021.

265: ElChemo: A Cross-Domain Interoperability in a Chemical Plant

Aravind Devanand, Gourab Karmakar, Feroz Farazi, Nenad Krdzavac, Mei Qi Lim, Eddy Y.S. Foo, Iftekhar A. Karimi, and Markus Kraft, Technical Report 265, c4e-Preprint Series, Cambridge, 2021.

264: The National Digital Twin of the UK – a knowledge-graph approach

Jethro Akroyd, Sebastian Mosbach, Amit Bhave, and Markus Kraft, Technical Report 264, c4e-Preprint Series, Cambridge, 2020.

263: Carbonaceous nanoparticle formation in flames

Jacob W. Martin, Maurin Salamanca, and Markus Kraft, Technical Report 263, c4e-Preprint Series, Cambridge, 2020.

262: Automated calibration of a poly(oxymethylene) dimethyl ether oxidation mechanism using knowledge-graph technology

Jiaru Bai, Rory M Geeson, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, Eric J. Bringley, and Markus Kraft, Technical Report 262, c4e-Preprint Series, Cambridge, 2020.

261: Structural effects of C3 oxygenated fuels on soot formation in ethylene coflow diffusion flames

Yong Ren Tan, Maurin Salamanca, Jiaru Bai, Jethro Akroyd, and Markus Kraft, Technical Report 261, c4e-Preprint Series, Cambridge, 2020.

260: How does a Carbon Tax affect Britain’s Power Generation Composition?

John Atherton, Wanni Xie, Leonardus Kevin Aditya, Xiaochi Zhou, Gourab Karmakar, Jethro Akroyd, Sebastian Mosbach, Mei Qi Lim, and Markus Kraft, Technical Report 260, c4e-Preprint Series, Cambridge, 2020.

259: Modelling investigation of the thermal treatment of ash-contaminated particulate filters

Chung Ting Lao, Jethro Akroyd, Alastair Smith, Neal M. Morgan, Kok Foong Lee, Daniel Nurkowski, and Markus Kraft, Technical Report 259, c4e-Preprint Series, Cambridge, 2020.

258: Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Kinetics and Equilibria

Angiras Menon, Jacob W. Martin, Jethro Akroyd, and Markus Kraft, Technical Report 258, c4e-Preprint Series, Cambridge, 2020.

257: A multi-scale cross-domain thermochemical knowledge-graph

Sebastian Mosbach, Angiras Menon, Feroz Farazi, Nenad Krdzavac, Xiaochi Zhou, Jethro Akroyd, and Markus Kraft, Technical Report 257, c4e-Preprint Series, Cambridge, 2020.

256: A knowledge-graph approach to combustion chemistry and interoperability

Feroz Farazi, Maurin Salamanca, Sebastian Mosbach, Jethro Akroyd, Andreas Eibeck, Leonardus Kevin Aditya, Arkadiusz Chadzynski, Kang Pan, Xiaochi Zhou, Shaocong Zhang, Mei Qi Lim, and Markus Kraft, Technical Report 256, c4e-Preprint Series, Cambridge, 2020.

255: The effect of poly(oxymethylene) dimethyl ethers (PODE3) on soot formation in ethylene/PODE3 laminar coflow diffusion flames

Yong Ren Tan, Maurin Salamanca, Laura Pascazio, Jethro Akroyd, and Markus Kraft, Technical Report 255, c4e-Preprint Series, Cambridge, 2020.

254: Aromatic penta-linked hydrocarbons in soot nanoparticle formation

Laura Pascazio, Jacob W. Martin, Angiras Menon, Dingyu Hou, Xiaoqing You, and Markus Kraft, Technical Report 254, c4e-Preprint Series, Cambridge, 2019.

253: Kinetic Monte Carlo statistics of curvature integration by HACA growth and bay closure reactions for PAH growth in a counterflow diffusion flame

Gustavo Leon, Angiras Menon, Laura Pascazio, Eric J. Bringley, Jethro Akroyd, and Markus Kraft, Technical Report 253, c4e-Preprint Series, Cambridge, 2019.

252: Surface properties of heterogeneous polycyclic aromatic hydrocarbon clusters

Kimberly L. Bowal, Laura Pascazio, Hongyu Wang, Dongping Chen, and Markus Kraft, Technical Report 252, c4e-Preprint Series, Cambridge, 2019.

251: Reactive localized π-radicals on rim-based pentagonal rings: properties and concentration in flames

Angiras Menon, Jacob W. Martin, Gustavo Leon, Dingyu Hou, Laura Pascazio, Xiaoqing You, and Markus Kraft, Technical Report 251, c4e-Preprint Series, Cambridge, 2019.

250: Temperature and CH* Measurements and Simulations of Laminar Premixed Ethylene Jet-Wall Stagnation Flames

Jochen Dreyer, Eric J. Bringley, Manoel Y. Manuputty, Jethro Akroyd, and Markus Kraft, Technical Report 250, c4e-Preprint Series, Cambridge, 2019.

249: A Parallel World Framework for Scenario Analysis in Knowledge Graphs

Andreas Eibeck, Arkadiusz Chadzynski, Mei Qi Lim, Leonardus Kevin Aditya, Laura Ong, Aravind Devanand, Gourab Karmakar, Sebastian Mosbach, Raymond Lau, Iftekhar A. Karimi, Eddy Y.S. Foo, and Markus Kraft, Technical Report 249, c4e-Preprint Series, Cambridge, 2020.

248: The Impact of Intelligent Cyber-Physical Systems on the Decarbonization of Energy

Oliver R. Inderwildi, Chuan Zhang, Xiaonan Wang, and Markus Kraft, Technical Report 248, c4e-Preprint Series, Cambridge, 2020.

247: The role of NO2 and NO in the mechanism of hydrocarbon degradation leading to carbonaceous deposits in engines

Radomir I. Slavchov, Maurin Salamanca, Danilo Russo, Ibrahim Salama, Sebastian Mosbach, Stuart M. Clarke, Markus Kraft, Alexei A. Lapkin, and Sorin V. Filip, Technical Report 247, c4e-Preprint Series, Cambridge, 2019.

246: The impact of cyclic fuels on the formation and structure of soot

Maurin Salamanca, Maria Botero, Jacob W. Martin, Jochen Dreyer, Jethro Akroyd, and Markus Kraft, Technical Report 246, c4e-Preprint Series, Cambridge, 2019.

245: A density functional theory study on the kinetics of seven-member ring formation in polyaromatic hydrocarbons

Angiras Menon, Gustavo Leon, Jethro Akroyd, and Markus Kraft, Technical Report 245, c4e-Preprint Series, Cambridge, 2019.

244: A joint moment projection method and maximum entropy approach for simulation of soot formation and oxidation in diesel engines

Shaohua Wu, Chung Ting Lao, Jethro Akroyd, Sebastian Mosbach, Wenming Yang, and Markus Kraft, Technical Report 244, c4e-Preprint Series, Cambridge, 2019.

243: Deep Kernel Learning Approach to Engine Emissions Modelling

Changmin Yu, Marko Seslija, George Brownbridge, Sebastian Mosbach, Markus Kraft, Mohammad Parsi, Mark Davis, Vivian Page, and Amit Bhave, Technical Report 243, c4e-Preprint Series, Cambridge, 2019.

242: Study of industrial titania synthesis using a hybrid particle-number and detailed particle model

Astrid Boje, Jethro Akroyd, Stephen Sutcliffe, and Markus Kraft, Technical Report 242, c4e-Preprint Series, Cambridge, 2019.

241: Exploring the internal structure of soot particles using nanoindentation: A reactive molecular dynamics study

Laura Pascazio, Jacob W. Martin, Kimberly L. Bowal, Jethro Akroyd, and Markus Kraft, Technical Report 241, c4e-Preprint Series, Cambridge, 2019.

240: A Smart Contract-based agent marketplace for the J-Park Simulator - a Knowledge Graph for the process industry

Xiaochi Zhou, Mei Qi Lim, and Markus Kraft, Technical Report 240, c4e-Preprint Series, Cambridge, 2019.

239: On the Coagulation Efficiency of Carbonaceous Nanoparticles

Dingyu Hou, Diyuan Zong, Casper Lindberg, Markus Kraft, and Xiaoqing You, Technical Report 239, c4e-Preprint Series, Cambridge, 2019.

238: Understanding the anatase-rutile stability in flame-made TiO2

Manoel Y. Manuputty, Casper Lindberg, Jochen Dreyer, Jethro Akroyd, John Edwards, and Markus Kraft, Technical Report 238, c4e-Preprint Series, Cambridge, 2019.

237: Topology of disordered 3D graphene networks

Jacob W. Martin, Carla de Tomas, Irene Suarez-Martinez, Markus Kraft, and Nigel Marks, Technical Report 237, c4e-Preprint Series, Cambridge, 2019.

236: Linking Reaction Mechanisms and Quantum Chemistry: An Ontological Approach

Feroz Farazi, Nenad Krdzavac, Jethro Akroyd, Sebastian Mosbach, Angiras Menon, Daniel Nurkowski, and Markus Kraft, Technical Report 236, c4e-Preprint Series, Cambridge, 2019.

235: From data base to knowledge graph - using data in chemistry

Angiras Menon, Nenad Krdzavac, and Markus Kraft, Technical Report 235, c4e-Preprint Series, Cambridge, 2019.

234: Reactivity of polycyclic aromatic hydrocarbon radicals: implications for soot formation

Jacob W. Martin, Dingyu Hou, Angiras Menon, Laura Pascazio, Jethro Akroyd, Xiaoqing You, and Markus Kraft, Technical Report 234, c4e-Preprint Series, Cambridge, 2019.

233: Simulation of soot particle morphology in a premixed ethylene stagnation flame

Dingyu Hou, Casper Lindberg, Mengda Wang, Manoel Y. Manuputty, Xiaoqing You, and Markus Kraft, Technical Report 233, c4e-Preprint Series, Cambridge, 2019.

232: Lifting an object buried in granular material; experiments and theory

Jethro Akroyd, Eric J. Rees, Chung Ting Lao, Andi Reci, Oscar Maynard, Marcus Clover, Ray Aun Fan, Khoon Kheng Teh, and John F. Davidson, Technical Report 232, c4e-Preprint Series, Cambridge, 2019.

231: Efficient simulation and auto-calibration of soot particle processes in Diesel engines

Shaohua Wu, Jethro Akroyd, Sebastian Mosbach, George Brownbridge, Owen Parry, Vivian Page, Wenming Yang, and Markus Kraft, Technical Report 231, c4e-Preprint Series, Cambridge, 2019.

230: OntoPowerSys: A Power Systems Ontology for Cross Domain Interactions in an Eco Industrial Park

Aravind Devanand, Gourab Karmakar, Nenad Krdzavac, Leonardus Kevin Aditya, Rémy Rigo-Mariani, Ashok Krishnan, Eddy Y.S. Foo, Iftekhar A. Karimi, and Markus Kraft, Technical Report 230, c4e-Preprint Series, Cambridge, 2019.

229: Sphere Encapsulated Monte Carlo: Obtaining minimum energy configurations of large aromatic systems

Kimberly L. Bowal, Peter Grancic, Jacob W. Martin, and Markus Kraft, Technical Report 229, c4e-Preprint Series, Cambridge, 2019.

228: Investigation of the impact of the configuration of exhaust after-treatment system for diesel engines

Chung Ting Lao, Jethro Akroyd, Nick A. Eaves, Alastair Smith, Neal M. Morgan, Daniel Nurkowski, Amit Bhave, and Markus Kraft, Technical Report 228, c4e-Preprint Series, Cambridge, 2019.

227: An agent composition framework for the J-Park Simulator - a knowledge graph for the process industry

Xiaochi Zhou, Andreas Eibeck, Mei Qi Lim, Nenad Krdzavac, and Markus Kraft, Technical Report 227, c4e-Preprint Series, Cambridge, 2019.

226: Numerical simulation and parametric sensitivity study of titanium dioxide particles synthesised in a stagnation flame

Casper Lindberg, Manoel Y. Manuputty, Philipp Buerger, Jethro Akroyd, and Markus Kraft, Technical Report 226, c4e-Preprint Series, Cambridge, 2019.

225: Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons

Angiras Menon, Jochen Dreyer, Jacob W. Martin, Jethro Akroyd, John Robertson, and Markus Kraft, Technical Report 225, c4e-Preprint Series, Cambridge, 2019.

224: A new methodology to calculate process rates in a KMC model of PAH growth

Gustavo Leon, Nick A. Eaves, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 224, c4e-Preprint Series, Cambridge, 2019.

223: An ontology and semantic web service for quantum chemistry calculations

Nenad Krdzavac, Sebastian Mosbach, Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, Jacob W. Martin, Angiras Menon, and Markus Kraft, Technical Report 223, c4e-Preprint Series, Cambridge, 2019.

222: J-Park Simulator: An ontology-based platform for cross-domain scenarios in process industry

Andreas Eibeck, Mei Qi Lim, and Markus Kraft, Technical Report 222, c4e-Preprint Series, Cambridge, 2019.

221: Optimal Site Selection for Modular Nuclear Power Plants

Aravind Devanand, Iftekhar A. Karimi, and Markus Kraft, Technical Report 221, c4e-Preprint Series, Cambridge, 2019.

220: Dynamic polarity of curved aromatic soot precursors

Jacob W. Martin, Angiras Menon, Chung Ting Lao, Jethro Akroyd, and Markus Kraft, Technical Report 220, c4e-Preprint Series, Cambridge, 2019.

219: Nanostructure of Gasification Charcoal (Biochar)

Jacob W. Martin, Leonard Nyadong, Caterina Ducati, Merilyn Manley-Harris, Alan G. Marshall, and Markus Kraft, Technical Report 219, c4e-Preprint Series, Cambridge, 2019.

218: OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms

Feroz Farazi, Jethro Akroyd, Sebastian Mosbach, Philipp Buerger, Daniel Nurkowski, and Markus Kraft, Technical Report 218, c4e-Preprint Series, Cambridge, 2019.

217: Improved methodology for performing the inverse Abel transform of flame images for colour ratio pyrometry

Jochen Dreyer, Radomir I. Slavchov, Eric J. Rees, Jethro Akroyd, Maurin Salamanca, Sebastian Mosbach, and Markus Kraft, Technical Report 217, c4e-Preprint Series, Cambridge, 2019.

216: An assessment of the viability of alternatives to biodiesel transport fuels

Rebecca Kächele, Daniel Nurkowski, Jacob W. Martin, Jethro Akroyd, and Markus Kraft, Technical Report 216, c4e-Preprint Series, Cambridge, 2018.

215: A detailed particle model for polydisperse titanium dioxide aggregates

Casper Lindberg, Manoel Y. Manuputty, Edward K. Y. Yapp, Jethro Akroyd, Rong Xu, and Markus Kraft, Technical Report 215, c4e-Preprint Series, Cambridge, 2018.

214: Ion-induced soot nucleation using a new potential for curved aromatics

Kimberly L. Bowal, Jacob W. Martin, Alston J. Misquitta, and Markus Kraft, Technical Report 214, c4e-Preprint Series, Cambridge, 2018.

213: Detailed characterisation of TiO2 nano-aggregate morphology using TEM image analysis

Manoel Y. Manuputty, Casper Lindberg, Maria Botero, Jethro Akroyd, and Markus Kraft, Technical Report 213, c4e-Preprint Series, Cambridge, 2018.

212: Modelling Soot Formation in a Benchmark Ethylene Stagnation Flame with a New Detailed Population Balance Model

Dingyu Hou, Casper Lindberg, Manoel Y. Manuputty, Xiaoqing You, and Markus Kraft, Technical Report 212, c4e-Preprint Series, Cambridge, 2018.

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.

210: Partitioning of polycyclic aromatic hydrocarbons in heterogeneous clusters

Kimberly L. Bowal, Jacob W. Martin, and Markus Kraft, Technical Report 210, c4e-Preprint Series, Cambridge, 2018.

209: Internal structure of soot particles in a diffusion flame

Maria Botero, Yuan Sheng, Jethro Akroyd, Jacob W. Martin, Jochen Dreyer, Wenming Yang, and Markus Kraft, Technical Report 209, c4e-Preprint Series, Cambridge, 2018.

208: Modelling Particle Mass and Particle Number Emissions during the Active Regeneration of Diesel Particulate Filters

Chung Ting Lao, Jethro Akroyd, Nick A. Eaves, Alastair Smith, Neal M. Morgan, Amit Bhave, and Markus Kraft, Technical Report 208, c4e-Preprint Series, Cambridge, 2018.

207: Flexoelectricity and the formation of carbon nanoparticles in flames

Jacob W. Martin, Maria Botero, Radomir I. Slavchov, Kimberly L. Bowal, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 207, c4e-Preprint Series, Cambridge, 2018.

206: Evolution of the soot particle size distribution along the centreline of a n-heptane/toluene co-flow diffusion flame

Jochen Dreyer, Maximilian Poli, Nick A. Eaves, Maria Botero, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 206, c4e-Preprint Series, Cambridge, 2018.

205: Degree of crosslinking in combustion carbons

Laura Pascazio, Jacob W. Martin, Maria Botero, Mariano Sirignano, Andrea D'Anna, and Markus Kraft, Technical Report 205, c4e-Preprint Series, Cambridge, 2018.

204: A two-step simulation methodology for modelling stagnation flame synthesised aggregate nanoparticles

Casper Lindberg, Manoel Y. Manuputty, Jethro Akroyd, and Markus Kraft, Technical Report 204, c4e-Preprint Series, Cambridge, 2018.

203: Exploiting arbitrage opportunities on commodity futures market as a chemical plant

Janusz Sikorski, Oliver R. Inderwildi, Mei Qi Lim, Sushant S. Garud, Johannes Neukäufer, and Markus Kraft, Technical Report 203, c4e-Preprint Series, Cambridge, 2018.

202: Experimental and numerical study of the evolution of soot primary particles in a diffusion flame

Maria Botero, Nick A. Eaves, Jochen Dreyer, Yuan Sheng, Jethro Akroyd, Wenming Yang, and Markus Kraft, Technical Report 202, c4e-Preprint Series, Cambridge, 2018.

201: Size spectra and source apportionment of fine particulates in tropical urban environment during southwest monsoon season

Yichen Zong, Maria Botero, Liya E. Yu, and Markus Kraft, Technical Report 201, c4e-Preprint Series, Cambridge, 2018.

200: Polymorphism of nanocrystalline TiO2 prepared in a stagnation flame: Formation of TiO2-II phase

Manoel Y. Manuputty, Jochen Dreyer, Yuan Sheng, Eric J. Bringley, Maria Botero, Jethro Akroyd, and Markus Kraft, Technical Report 200, c4e-Preprint Series, Cambridge, 2018.

199: Polar curved polycyclic aromatic hydrocarbons in soot formation

Jacob W. Martin, Kimberly L. Bowal, Angiras Menon, Radomir I. Slavchov, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 199, 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.

196: Emerging applications of nanocatalysts synthesized by flame aerosol processes

Yuan Sheng, Markus Kraft, and Rong Xu, Technical Report 196, 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.

194: Sooting characteristics of polyoxymethylene dimethyl ether blends with diesel in a diffusion flame

Yong Ren Tan, Maria Botero, Yuan Sheng, Jochen Dreyer, Rong Xu, Wenming Yang, and Markus Kraft, Technical Report 194, c4e-Preprint Series, Cambridge, 2017.

193: Co3O4 and FexCo3-xO4 nanoparticles/films synthesized in a vapor-fed flame aerosol reactor for oxygen evolution

Yuan Sheng, Maria Botero, Manoel Y. Manuputty, Markus Kraft, and Rong Xu, Technical Report 193, c4e-Preprint Series, Cambridge, 2017.

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.

191: A high-dimensional, stochastic model for twin-screw granulation - Part 1: Model description

Andrew D. McGuire, Sebastian Mosbach, Kok Foong Lee, Gavin Reynolds, and Markus Kraft, Technical Report 191, c4e-Preprint Series, Cambridge, 2017.

190: Vapour pressure and vaporization heat of molecules able to dimerize

Radomir I. Slavchov, Sebastian Mosbach, and Markus Kraft, Technical Report 190, 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.

188: The polarisation of polycyclic aromatic hydrocarbons curved by pentagon incorporation: the role of the flexoelectric dipole

Jacob W. Martin, Radomir I. Slavchov, Edward K. Y. Yapp, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 188, c4e-Preprint Series, Cambridge, 2017.

187: An adsorption-precipitation model for the formation of injector external deposits in internal combustion engines

Radomir I. Slavchov, Sebastian Mosbach, Markus Kraft, Richard Pearson, and Sorin V. Filip, Technical Report 187, 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.

180: Extended First-Principles Thermochemistry for the Oxidation of Titanium Tetrachloride

Philipp Buerger, Jethro Akroyd, and Markus Kraft, Technical Report 180, 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.

177: On the milling behaviour of flame synthesised titania particles

Casper Lindberg, Jethro Akroyd, and Markus Kraft, Technical Report 177, c4e-Preprint Series, Cambridge, 2016.

176: Detailed Population Balance Modelling of TiO2 Synthesis in an Industrial Reactor

Astrid Boje, Jethro Akroyd, Stephen Sutcliffe, John Edwards, and Markus Kraft, Technical Report 176, c4e-Preprint Series, Cambridge, 2016.

175: Theoretical study of the Ti-Cl bond cleavage reaction in TiCl4

Daniel Nurkowski, Ahren W. Jasper, Jethro Akroyd, and Markus Kraft, Technical Report 175, c4e-Preprint Series, Cambridge, 2016.

174: J-Park Simulator: Roadmap to Smart Eco-Industrial Parks

Martin J. Kleinelanghorst, Li Zhou, Janusz Sikorski, Eddy FooYi Shyh, Leonardus Kevin Aditya, Sebastian Mosbach, Iftekhar A. Karimi, Raymond Lau, Sushant S. Garud, Chuan Zhang, Ming Pan, Joymala Moirangthem, Yuhao Sun, Pulkit Chhabra, Khamila Nurul, Daryl Yong, Yi Ren Sng, Gehan Amaratunga, Jan M. Maciejowski, Hadinoto Ong, Sanjib Panda, and Markus Kraft, Technical Report 174, 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.

169: Population balance modelling of TiO2 synthesis in a stagnation flame

Manoel Y. Manuputty, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 169, 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.

167: Can soot particles burn from the inside?

Peter Grancic, Jacob W. Martin, Dongping Chen, Sebastian Mosbach, and Markus Kraft, Technical Report 167, 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.

165: Cambridge Weblabs: a Process Control System using industrial standard SIMATIC PCS 7

Maria Botero, Anders Selmer, Roger Watson, Mukta Bansal, and Markus Kraft, Technical Report 165, 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.

163: A kinetic mechanism for the thermal decomposition of titanium tetraisopropoxide

Philipp Buerger, Daniel Nurkowski, Jethro Akroyd, and Markus Kraft, Technical Report 163, c4e-Preprint Series, Cambridge, 2015.

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.

161: Modelling PAH curvature in laminar premixed flames using a detailed population balance model

Edward K. Y. Yapp, Clive G. Wells, Jethro Akroyd, Sebastian Mosbach, Rong Xu, and Markus Kraft, Technical Report 161, c4e-Preprint Series, Cambridge, 2016.

160: Skeletal chemical mechanism of high-temperature TEOS oxidation in hydrogen-oxygen environment.

Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 160, 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.

158: Compartmental residence time estimation in batch granulators using a colourimetric image analysis algorithm and Discrete Element Modelling

Andrew D. McGuire, Kok Foong Lee, Maksym Dosta, Sebastian Mosbach, Jan-Georg Rosenboom, Stefan Heinrich, and Markus Kraft, Technical Report 158, c4e-Preprint Series, Cambridge, 2016.

157: Modelling soot formation from wall films in a gasoline direct injection engine using a detailed population balance model

Buyu Wang, Sebastian Mosbach, Sebastian Schmutzhard, Shijin Shuai, Yaqing Huang, and Markus Kraft, Technical Report 157, c4e-Preprint Series, Cambridge, 2015.

156: PAH structure analysis of soot in a non-premixed flame using High-Resolution Transmission Electron Microscopy and Optical Band Gap Analysis

Maria Botero, Erin M. Adkins, Silvia Gonzalez Calera, Houston Miller, and Markus Kraft, Technical Report 156, c4e-Preprint Series, Cambridge, 2015.

155: HRTEM study of soot particles produced by the non-premixed combustion of liquid fuels

Maria Botero, Dongping Chen, Silvia Gonzalez Calera, David Jefferson, and Markus Kraft, Technical Report 155, 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.

153: Sooting tendency and particle size distributions of n-heptane/toluene mixtures burned in a wick-fed diffusion flame

Maria Botero, Sebastian Mosbach, and Markus Kraft, Technical Report 153, 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.

151: First-principles thermochemistry for the thermal decomposition of titanium tetra-isopropoxide

Philipp Buerger, Daniel Nurkowski, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 151, 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.

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

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

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

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

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

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

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

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

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

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

142: Particle Formation and Models in Internal Combustion Engines

David Kittelson and Markus Kraft, Technical Report 142, c4e-Preprint Series, Cambridge, 2014.

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

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

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

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

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

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

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

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

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

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

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

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, Technical Report 136, c4e-Preprint Series, Cambridge, 2013.

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

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

134: Modelling Soot Formation: Model of Particle Formation

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

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

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

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

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

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

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

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

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

129: Lifting a buried object: reverse hopper theory

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

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

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

127: Stochastic solution of population balance equations for reactor networks

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

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

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

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

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

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

Maria Botero, Sebastian Mosbach, and Markus Kraft, Technical Report 124, c4e-Preprint Series, Cambridge, 2013.

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

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

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.

121: A new model for silicon nanoparticle synthesis

William J. Menz and Markus Kraft, Technical Report 121, 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.

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

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

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

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

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

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

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

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

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

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

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

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

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

Dongping Chen, Zakwan Zainuddin, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Technical Report 113, 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.

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

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

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

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

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.

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

Tim Totton, Alston J. Misquitta, and Markus Kraft, Technical Report 108, c4e-Preprint Series, Cambridge, 2011.

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

Tim Totton, Alston J. Misquitta, and Markus Kraft, Technical Report 107, c4e-Preprint Series, Cambridge, 2011.

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

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

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.

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

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

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

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

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

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

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

Tim Totton, Alston J. Misquitta, and Markus Kraft, Technical Report 101, c4e-Preprint Series, Cambridge, 2011.

100: Theoretical insights into the surface growth of rutile TiO2

Raphael Shirley, Jethro Akroyd, Luke Miller, Oliver R. Inderwildi, Uwe Riedel, and Markus Kraft, Technical Report 100, 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.

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

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

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

Raphael Shirley, Weerapong Phadungsukanan, Markus Kraft, Jim Downing, Nick Day, and Peter Murray-Rust, Technical Report 97, 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.

90: Modelling Soot Formation in a DISI Engine

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, Technical Report 90, c4e-Preprint Series, Cambridge, 2010.

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

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, Technical Report 89, c4e-Preprint Series, Cambridge, 2010.

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

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, Technical Report 88, 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.

86: A novel pathway for flame synthesis of silica nanoparticles

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

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

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

84: The future of computational modelling in reaction engineering

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

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

Abhijeet Raj, Markus Sander, and Markus Kraft, Technical Report 83, 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.

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

Tim Totton, Alston J. Misquitta, and Markus Kraft, Technical Report 81, c4e-Preprint Series, Cambridge, 2009.

80: On the fractal dimension of soot particles

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

79: Mapping Surrogate Gasoline Compositions into RON/MON Space

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

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

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

77: Modelling the Internal Structure of Nascent Soot Particles

Tim Totton, Dwaipayan Chakrabarti, Alston J. Misquitta, Markus Sander, David Wales, and Markus Kraft, Technical Report 77, 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.

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

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

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

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

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

Abhijeet Raj, Markus Sander, Vinod Janardhanan, and Markus Kraft, Technical Report 73, 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.

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

Raphael Shirley, Oliver R. Inderwildi, and Markus Kraft, Technical Report 71, 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.

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

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

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

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

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

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

66: Incorporating experimental uncertainties into multivariate granulation modelling

Andreas Braumann and Markus Kraft, Technical Report 66, 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.

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

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

63: Simulating the Structural Evolution of Droplets Following Shell Formation

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

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

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

61: Towards a detailed soot model for internal combustion engines

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

60: Multivariate Soot Particle Models

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

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

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

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.

56: Applying response surface methodology to multidimensional granulation modelling

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

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

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

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

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

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

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

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.

51: An aromatic site description of soot particles

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

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

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

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

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

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

Sebastian Mosbach, Ali M. Aldawood, and Markus Kraft, Technical Report 48, 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.

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

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

45: Modes of Neck Growth in Nanoparticle Aggregates

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

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

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

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

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

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

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

41: Weblabs in Chemical Engineering Education

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

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

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

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.

37: Numerical simulations of soot aggregation in premixed laminar flames

Neal M. Morgan, Markus Kraft, Michael Balthasar, David Wong, Michael Frenklach, and Pablo Mitchell, Technical Report 37, 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.

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

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

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

Sebastian Mosbach, Markus Kraft, Amit Bhave, Fabian Mauss, J. Hunter Mack, and Robert W. Dibble, Technical Report 34, 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.

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

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

30: Modelling of particulate processes

Markus Kraft, Technical Report 30, c4e-Preprint Series, Cambridge, 2005.

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

Jasdeep Singh, Robert I. A. Patterson, Markus Kraft, and Hai Wang, Technical Report 29, 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.

27: Process Dynamics and Control Experiment Performed Across the Atlantic

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

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.

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

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

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

Amit Bhave, Markus Kraft, Aaron Oakley, Hua Zhao, and Fabian Mauss, Technical Report 24, 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.

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

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

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.

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

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

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.

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

Markus Kraft, Sebastian Mosbach, and Wolfgang Wagner, Technical Report 11, 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.

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

Haiyun Su, Markus Kraft, and Wolfgang Wagner, Technical Report 6, 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.

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

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

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.

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

Michael Balthasar, Fabian Mauss, Anthony A. Knobel, and Markus Kraft, Technical Report 1, c4e-Preprint Series, Cambridge, 2000.