Arkadiusz Chadzynski, Shiying Li, Ayda Grišiūtė, Jefferson Chua, Markus Hofmeister, Jingya Yan, Huay Yi Tai, Emily Lloyd, Yi-Kai Tsai, Mehal Agarwal, Jethro Akroyd, Pieter Herthogs, and Markus Kraft, Data-Centric Engineering 4, 20, (2023).

British imbalance market paradox: Variable renewable energy penetration in energy markets

John Atherton, Markus Hofmeister, Sebastian Mosbach, Jethro Akroyd, Feroz Farazi, and Markus Kraft, Renewable and Sustainable Energy Reviews 185, 113591, (2023).

Marie and BERT ─ A Knowledge Graph Embedding Based Question Answering System for Chemistry

Xiaochi Zhou, Shaocong Zhang, Mehal Agarwal, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, ACS Omega 8(36), 33039-33057, (2023).

British wind farm ESS attachments: curtailment reduction vs. price arbitrage

John Atherton, Jethro Akroyd, Feroz Farazi, Sebastian Mosbach, Mei Qi Lim, and Markus Kraft, Energy & Environmental Science 16, 4020-4040, (2023).

Modelling a detailed kinetic mechanism for electrocatalytic reduction of CO₂

Simon D. Rihm, Jethro Akroyd, and Markus Kraft, Proceedings of the Combustion Institute 39(4), 5647-5655, (2023).

A semantic web approach to land use regulations in urban planning: The OntoZoning ontology of zones, land uses and programmes for Singapore

Heidi Silvennoinen, Arkadiusz Chadzynski, Feroz Farazi, Ayda Grišiūtė, Zhongming Shi, Aurel von Richthofen, Stephen Cairns, Markus Kraft, Martin Raubal, and Pieter Herthogs, Journal of Urban Management 12(2), 151-167, (2023).

The influence of alcohol, carbonate and polyethers as oxygenated fuels on the soot characteristics from a CI engine

Yong Ren Tan, Qiren Zhu, Yichen Zong, Maurin Salamanca, Jiawei Lai, Jethro Akroyd, Wenming Yang, and Markus Kraft, Fuel 338, 127296, (2023).

Effects of polyoxymethylene dimethyl ether (PODE_n) blended fuel on diesel engine emission: Insight from soot-particle aerosol mass spectrometry and aethalometer measurements

Mutian Ma, Laura-Hélèna Rivellini, Nethmi Kasthuriarachchi, Qiren Zhu, Yichen Zong, Wenbin Yu, Wenming Yang, Markus Kraft, and Alex K.Y. Lee, Atmospheric Environment: X 18, 100216, (2023).

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, Energy & Environmental Science 16(4), 1697-1710, (2023).

The conundrum in smart city governance: Interoperability and compatibility in an ever-growing ecosystem of digital twins

Hou Yee Quek, Franziska Sielker, Jethro Akroyd, Amit Bhave, Aurel von Richthofen, Pieter Herthogs, Claudia Yamu, Li Wan, Timea Nochta, Gemma Burgess, Mei Qi Lim, Sebastian Mosbach, and Markus Kraft, Data & Policy 5, 6, (2023).

Fully Automated Kinetic Models Extend our Understanding of Complex Reaction Mechanisms

Simon D. Rihm, Jiaru Bai, Laura Pascazio, and Markus Kraft, Chemie Ingenieur Technik 95(5), 740-748, (2023).

Modelling treatment of deposits in particulate filters for internal combustion emissions

Chung Ting Lao, Jethro Akroyd, and Markus Kraft, Progress in Energy and Combustion Science 96, 101043, (2023).

OntoPESScan: An Ontology for Potential Energy Surface Scans

Angiras Menon, Laura Pascazio, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, ACS Omega 8(2), 2462-2475, (2023).

Evaluating the effect of n-butanol additive on particulate matter emission in diesel engine

Qiren Zhu, Yichen Zong, Yong Ren Tan, Jieyao Lyu, Wenbin Yu, Wenming Yang, and Markus Kraft, Fuel 332(1), 126003, (2023).

Effects of particle collection in a premixed stagnation flame synthesis of sub-stoichiometric TiO_2-x nanoparticles

Manoel Y. Manuputty, Rong Xu, and Markus Kraft, Chemical Engineering Science 265, 118155, (2023).

Defining archetypes of mixed-use developments using Google Maps API data

Zhongming Shi, Heidi Silvennoinen, Arkadiusz Chadzynski, Aurel von Richthofen, Markus Kraft, Stephen Cairns, and Pieter Herthogs, Environment and Planning B: Urban Analytics and City Science 50(6), 1607-1623, (2023).

Knowledge Engineering in Chemistry: From Expert Systems to Agents of Creation

Aleksandar Kondinski, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Accounts of Chemical Research 56(2), 128-139, (2023).

2022

Automated Rational Design of Metal-Organic Polyhedra

Aleksandar Kondinski, Angiras Menon, Daniel Nurkowski, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Journal of the American Chemical Society 144(26), 11713-11728, (2022).

Universal Digital Twin: Integration of national-scale energy systems and climate data

Tom Savage, Jethro Akroyd, Sebastian Mosbach, Nenad Krdzavac, Michael Hillman, and Markus Kraft, Data-Centric Engineering 3, 23, (2022).

Question answering system for chemistry - A semantic agent extension

Xiaochi Zhou, Daniel Nurkowski, Angiras Menon, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Digital Chemical Engineering 3, 100032, (2022).

Blockchain Technology in the Chemical Industry

Xiaochi Zhou and Markus Kraft, Annual Review of Chemical and Biomolecular Engineering 13, 347-371, (2022).

Universal Digital Twin: Land use

Jethro Akroyd, Zachary Harper, David N.L. Soutar, Feroz Farazi, Amit Bhave, Sebastian Mosbach, and Markus Kraft, Data-Centric Engineering 3, 3, (2022).

Semantic 3D City Agents - An intelligent automation for dynamic geospatial knowledge graphs

Arkadiusz Chadzynski, Shiying Li, Ayda Grišiūtė, Feroz Farazi, Casper Lindberg, Sebastian Mosbach, Pieter Herthogs, and Markus Kraft, Energy and AI 8, 100137, (2022).

Perspectives for regulating 10 nm particle number emissions based on novel measurement methodologies

Zissis Samaras, Marcus Rieker, Eleni Papaioannou, Willem F. van Dorp, Marina K. Kousoulidou, Leonidas Ntziachristos, Jon Andersson, Alexander Bergmann, Stefan Hausberger, Jorma Keskinen, Panu Karjalainen, Sampsa Martikainen, Athanasios Mamakos, Christoph Haisch, Anastasios Kontses, Zisimos Toumasatos, Lukas Landl, Markus Bainschab, Tero Lähde, Oriana Piacenza, Philipp Kreutziger, Amit Bhave, Kok Foong Lee, Jethro Akroyd, Markus Kraft, Mohsen Kazemimanesh, Adam M. Boies, Cristian Focsa, Dumitru Duca, Yvain Carpentier, Claire Pirim, Jennifer A. Noble, Ophélie Lancry, Sébastien Legendre, Torsten Tritscher, Jürgen Spielvogel, Hans-Georg Horn, Antonio Pérez, Susanna Paz, Dimitrios Zarvalis, Anastasios Melas, Penelope Baltzopoulou, Nickolas D. Vlachos, Leonidas Chasapidis, Danis Deloglou, Emmanouil Daskalos, Apostolos Tsakis, Athanasios G. Konstandopoulos, Stéphane Zinola, Silvana Di Iorio, Francesco Catapano, Bianca M. Vaglieco, Heinz Burtscher, Giovanna Nicol, Daoíz Zamora, and Maurizio Maggiore, Journal of Aerosol Science 162, 105957, (2022).

Understanding the particulate formation process in the engine fuelled with diesel/Jet A-1 blends

Qiren Zhu, Yichen Zong, Wenbin Yu, Wenming Yang, and Markus Kraft, Fuel 313, 122675, (2022).

Radial dependence of TiO₂ nanoparticles synthesised in jet-wall stagnation flames

Eric J. Bringley, Manoel Y. Manuputty, Casper Lindberg, Gustavo Leon, Jethro Akroyd, and Markus Kraft, Journal of Aerosol Science 162, 105928, (2022).

From Platform to Knowledge Graph: Evolution of Laboratory Automation

Jiaru Bai, Liwei Cao, Sebastian Mosbach, Jethro Akroyd, Alexei A. Lapkin, and Markus Kraft, JACS Au 2(2), 292-309, (2022).

Embedding Energy Storage Systems into a Dynamic Knowledge Graph

Laura Ong, Gourab Karmakar, John Atherton, Xiaochi Zhou, Mei Qi Lim, Arkadiusz Chadzynski, Lanyu Li, Xiaonan Wang, and Markus Kraft, Industrial & Engineering Chemistry Research 61(24), 8390-8398, (2022).

Semantic City Planning Systems (SCPS): A Literature Review

Aurel von Richthofen, Pieter Herthogs, Markus Kraft, and Stephen Cairns, Journal of Planning Literature 37(3), 415-432, (2022).

On the reactive coagulation of incipient soot nanoparticles

Dingyu Hou, Laura Pascazio, Jacob W. Martin, Yuxin Zhou, Markus Kraft, and Xiaoqing You, Journal of Aerosol Science 159, 205866, (2022).

Soot inception: Carbonaceous nanoparticle formation in flames

Jacob W. Martin, Maurin Salamanca, and Markus Kraft, Progress in Energy and Combustion Science 88, 100956, (2022).

Resource-optimised generation dispatch strategy for district heating systems using dynamic hierarchical optimisation

Markus Hofmeister, Sebastian Mosbach, Jörg Hammacher, Martin Blum, Gerd Röhrig, Christoph Dörr, Volker Flegel, Amit Bhave, and Markus Kraft, Applied Energy 305, 117877, (2022).

Universal Digital Twin – the impact of heat pumps on social inequality

Tom Savage, Jethro Akroyd, Sebastian Mosbach, Michael Hillman, Franziska Sielker, and Markus Kraft, Advances in Applied Energy 5, 100079, (2022).

How do the oxygenated functional groups in ether, carbonate and alcohol affect soot formation in Jet A2 diffusion flames?

Yong Ren Tan, Maurin Salamanca, Jethro Akroyd, and Markus Kraft, Combustion and Flame 243, 111849, (2022).

Stochastic population balance methods for detailed modelling of flame-made aerosol particles

Astrid Boje and Markus Kraft, Journal of Aerosol Science 159, 105895, (2022).

ElChemo: A cross-domain interoperability between chemical and electrical systems in a plant

Aravind Devanand, Gourab Karmakar, Nenad Krdzavac, Feroz Farazi, Mei Qi Lim, Eddy Y.S. Foo, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 156, 107556, (2022).

2021

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, Emission Control Science and Technology 7, 265-286, (2021).

Universal Digital Twin - A Dynamic Knowledge Graph

Jethro Akroyd, Sebastian Mosbach, Amit Bhave, and Markus Kraft, Data-Centric Engineering 2, 14, (2021).

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, ACS Omega 6(37), 23764-23775, (2021).

Question Answering System for Chemistry

Xiaochi Zhou, Daniel Nurkowski, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Journal of Chemical Information and Modeling 61(8), 3868-3880, (2021).

Semantic 3D City Database - An enabler for a dynamic geospatial knowledge graph

Arkadiusz Chadzynski, Nenad Krdzavac, Feroz Farazi, Mei Qi Lim, Shiying Li, Ayda Grišiūtė, Pieter Herthogs, Aurel von Richthofen, Stephen Cairns, and Markus Kraft, Energy and AI 6, 100106, (2021).

π-Diradical aromatic soot precursors in flames

Jacob W. Martin, Laura Pascazio, Angiras Menon, Jethro Akroyd, Katharina Kaiser, Fabian Schulz, Mario Commodo, Andrea D'Anna, Leo Gross, and Markus Kraft, Journal of the American Chemical Society 143(31), 12212-12219, (2021).

Development of a moving point source model for shipping emission dispersion modeling in EPISODE-CityChem v1.3

Kang Pan, Mei Qi Lim, Markus Kraft, and Epaminondas Mastorakos, Geoscientific Model Development 14(7), 4509-4534, (2021).

Understanding the blending effect of polyoxymethylene dimethyl ethers as additive in a common-rail diesel engine

Qiren Zhu, Yichen Zong, Wenbin Yu, Wenming Yang, and Markus Kraft, Applied Energy 300, 117380, (2021).

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, Carbon 182, 203-213, (2021).

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, Applied Energy 298, 117117, (2021).

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, Combustion and Flame 232, 111512, (2021).

Self-assembly of curved aromatic molecules in nanoparticles

Kimberly L. Bowal, Jacob W. Martin, and Markus Kraft, Carbon 182, 70-88, (2021).

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, Journal of Chemical Information and Modeling 61(4), 1701-1717, (2021).

Game theory-based renewable multi-energy system design and subsidy strategy optimization

Zuming Liu, Shukun Wang, Mei Qi Lim, Markus Kraft, and Xiaonan Wang, Advances in Applied Energy 2, 100024, (2021).

Surface properties of heterogeneous polycyclic aromatic hydrocarbon clusters

Kimberly L. Bowal, Laura Pascazio, Hongyu Wang, Dongping Chen, and Markus Kraft, Proceedings of the Combustion Institute 38(1), 1115-1123, (2021).

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, Proceedings of the Combustion Institute 38(1), 1449-1457, (2021).

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, Proceedings of the Combustion Institute 38(2), 2083-2091, (2021).

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, Proceedings of the Combustion Institute 38(1), 565-573, (2021).

Aromatic penta-linked hydrocarbons in soot nanoparticle formation

Laura Pascazio, Jacob W. Martin, Angiras Menon, Dingyu Hou, Xiaoqing You, and Markus Kraft, Proceedings of the Combustion Institute 38(1), 1525-1532, (2021).

Mechanical Properties of Soot Particles: The Impact of Crosslinked Polycyclic Aromatic Hydrocarbons

Laura Pascazio, Jacob W. Martin, Maria Botero, Mariano Sirignano, Andrea D'Anna, and Markus Kraft, Combustion Science and Technology 193(4), 643-663, (2021).

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, Fuel 283, 118769, (2021).

On the thermophoretic sampling and TEM-based characterisation of soot particles in flames

Maria Botero, Jethro Akroyd, Dongping Chen, Markus Kraft, and John R. Agudelo, Carbon 171, 711-722, (2021).

Atomic insights into the sintering process of polycyclic aromatic hydrocarbon clusters

Dingyu Hou, Qingzhao Chu, Dongping Chen, Laura Pascazio, Markus Kraft, and Xiaoqing You, Proceedings of the Combustion Institute 38(1), 1181-1188, (2021).

Understanding the anatase-rutile stability in flame-made TiO₂

Manoel Y. Manuputty, Casper Lindberg, Jochen Dreyer, Jethro Akroyd, John Edwards, and Markus Kraft, Combustion and Flame 226, 347-361, (2021).

2020

Multiscale Cross-Domain Thermochemical Knowledge-Graph

Sebastian Mosbach, Angiras Menon, Feroz Farazi, Nenad Krdzavac, Xiaochi Zhou, Jethro Akroyd, and Markus Kraft, Journal of Chemical Information and Modeling 60(12), 6155-6166, (2020).

Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Kinetics and Equilibria

Angiras Menon, Jacob W. Martin, Jethro Akroyd, and Markus Kraft, Journal of Physical Chemistry A 124, 10040-10052, (2020).

Deep-Learning Architecture in QSPR Modeling for the Prediction of Energy Conversion Efficiency of Solar Cells

Jinkui Wu, Shihui Wang, Li Zhou, Xu Ji, Yiyang Dai, Yagu Dang, and Markus Kraft, Industrial & Engineering Chemistry Research 59(42), 18991-19000, (2020).

Simultaneous design and operation optimization of renewable combined cooling heating and power systems

Zuming Liu, Mei Qi Lim, Markus Kraft, and Xiaonan Wang, AIChE Journal 66(12), 17039, (2020).

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, ACS Omega 5(29), 18342-18348, (2020).

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, Data-Centric Engineering 1, 6, (2020).

A virtual laboratory to support chemical reaction engineering courses using real-life problems and industrial software

Juan Ramírez, David Soto, Sebastian López, Jethro Akroyd, Daniel Nurkowski, Maria Botero, Nicola Bianco, George Brownbridge, Markus Kraft, and Alejandro Molina, Education for Chemical Engineers 33, 36-44, (2020).

Deep kernel learning approach to engine emissions modeling

Changmin Yu, Marko Seslija, George Brownbridge, Sebastian Mosbach, Markus Kraft, Mohammad Parsi, Mark Davis, Vivian Page, and Amit Bhave, Data-Centric Engineering 1, 4, (2020).

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, Combustion and Flame 219, 45-56, (2020).

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, Combustion and Flame 219, 1-12, (2020).

OntoPowSys: A power system ontology for cross domain interactions in an eco industrial park

Aravind Devanand, Gourab Karmakar, Nenad Krdzavac, Rémy Rigo-Mariani, Eddy Y.S. Foo, Iftekhar A. Karimi, and Markus Kraft, Energy and AI 1, 100008, (2020).

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, Computers & Chemical Engineering 139, 106896, (2020).

J‐Park Simulator: Knowledge Graph for Industry 4.0

Markus Kraft and Andreas Eibeck, Chemie Ingenieur Technik 92(7), 967-977, (2020).

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, Combustion and Flame 217, 152-174, (2020).

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, Applied Energy 267, 114844, (2020).

Linking reaction mechanisms and quantum chemistry: An ontological approach

Feroz Farazi, Nenad Krdzavac, Jethro Akroyd, Sebastian Mosbach, Angiras Menon, Daniel Nurkowski, and Markus Kraft, Computers & Chemical Engineering 137, 106813, (2020).

Simulation of primary particle size distributions in a premixed ethylene stagnation flame

Dingyu Hou, Casper Lindberg, Mengda Wang, Manoel Y. Manuputty, Xiaoqing You, and Markus Kraft, Combustion and Flame 216, 126-135, (2020).

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

Astrid Boje, Jethro Akroyd, Stephen Sutcliffe, and Markus Kraft, Chemical Engineering Science 219, 115615, (2020).

The impact of intelligent cyber-physical systems on the decarbonization of energy

Oliver R. Inderwildi, Chuan Zhang, Xiaonan Wang, and Markus Kraft, Energy & Environmental Science 13(3), 744-771, (2020).

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, Fuel 267, 117218, (2020).

OntoKin: An Ontology for Chemical Kinetic Reaction Mechanisms

Feroz Farazi, Jethro Akroyd, Sebastian Mosbach, Philipp Buerger, Daniel Nurkowski, Maurin Salamanca, and Markus Kraft, Journal of Chemical Information and Modeling 60(1), 108-120, (2020).

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, Applied Energy 262, 114484, (2020).

A Combined Cycle Gas Turbine Model for Heat and Power Dispatch Subject to Grid Constraints

Rémy Rigo-Mariani, Chuan Zhang, Alessandro Romagnoli, Markus Kraft, K. V. Ling, and Jan M. Maciejowski, IEEE Transactions on Sustainable Energy 11(1), 448-456, (2020).

Experimental study on engine combustion and particle size distributions fueled with Jet A-1

Wenbin Yu, Yichen Zong, Qinjie Lin, Kunlin Tay, Feiyang Zhao, Wenming Yang, and Markus Kraft, Fuel 263, 116747, (2020).

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, Applied Energy 258, 114083, (2020).

2019

On the coagulation efficiency of carbonaceous nanoparticles

Dingyu Hou, Diyuan Zong, Casper Lindberg, Markus Kraft, and Xiaoqing You, Journal of Aerosol Science 140, 105478, (2019).

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

Andreas Eibeck, Mei Qi Lim, and Markus Kraft, Computers & Chemical Engineering 131, 106586, (2019).

Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Implications of Localized π-Radicals on Rim-Based Pentagonal Rings

Jacob W. Martin, Dingyu Hou, Angiras Menon, Laura Pascazio, Jethro Akroyd, Xiaoqing You, and Markus Kraft, The Journal of Physical Chemistry C 123(43), 26673-26682, (2019).

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, Journal of Aerosol Science 138, 105451, (2019).

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, Computers & Chemical Engineering 130, 106577, (2019).

From database to knowledge graph - using data in chemistry

Angiras Menon, Nenad Krdzavac, and Markus Kraft, Current Opinion in Chemical Engineering 26, 33-37, (2019).

Topology of Disordered 3D Graphene Networks

Jacob W. Martin, Carla de Tomas, Irene Suarez-Martinez, Markus Kraft, and Nigel Marks, Physical Review Letters 123, 116105, (2019).

Research advances towards large-scale solar hydrogen production from water

Guanyu Liu, Yuan Sheng, Joel W. Ager, Markus Kraft, and Rong Xu, EnergyChem 1(2), 100014, (2019).

A detailed particle model for polydisperse aggregate particles

Casper Lindberg, Manoel Y. Manuputty, Edward K. Y. Yapp, Jethro Akroyd, Rong Xu, and Markus Kraft, Journal of Computational Physics 397, 108799, (2019).

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

Jochen Dreyer, Maximilian Poli, Nick A. Eaves, Maria Botero, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Combustion and Flame 209, 256-266, (2019).

A new methodology to calculate process rates in a kinetic Monte Carlo model of PAH growth

Gustavo Leon, Nick A. Eaves, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Combustion and Flame 209, 133-143, (2019).

Sphere Encapsulated Monte Carlo: Obtaining Minimum Energy Configurations of Large Aromatic Systems

Kimberly L. Bowal, Peter Grancic, Jacob W. Martin, and Markus Kraft, Journal of Physical Chemistry A 123(33), 7303-7313, (2019).

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, Physical Chemistry Chemical Physics 21, 16240-16251, (2019).

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, Journal of Chemical Information and Modeling 59(7), 3154-3165, (2019).

An assessment of the viability of alternatives to biodiesel transport fuels

Rebecca Kächele, Daniel Nurkowski, Jacob W. Martin, Jethro Akroyd, and Markus Kraft, Applied Energy 251, 113363, (2019).

Dynamic polarity of curved aromatic soot precursors

Jacob W. Martin, Angiras Menon, Chung Ting Lao, Jethro Akroyd, and Markus Kraft, Combustion and Flame 206, 150-157, (2019).

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

Manoel Y. Manuputty, Casper Lindberg, Maria Botero, Jethro Akroyd, and Markus Kraft, Journal of Aerosol Science 133, 96-112, (2019).

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

Astrid Boje, Jethro Akroyd, and Markus Kraft, Journal of Computational Physics 389, 189-218, (2019).

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, Chemical Engineering Science 203, 358-379, (2019).

Nanostructure of Gasification Charcoal (Biochar)

Jacob W. Martin, Leonard Nyadong, Caterina Ducati, Merilyn Manley-Harris, Alan G. Marshall, and Markus Kraft, Environmental Science and Technology 53(7), 3538-3546, (2019).

Practically Useful Models for Kinetics of Biodiesel Production

Pulkit Chhabra, Sebastian Mosbach, Iftekhar A. Karimi, and Markus Kraft, ACS Sustainable Chemistry and Engineering 7(5), 4983-4992, (2019).

Ion-Induced Soot Nucleation Using a New Potential for Curved Aromatics

Kimberly L. Bowal, Jacob W. Martin, Alston J. Misquitta, and Markus Kraft, Combustion Science and Technology 191(5-6), 747-765, (2019).

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, Carbon 141, 635-642, (2019).

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, Proceedings of the Combustion Institute 37(4), 4831-4838, (2019).

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, Environmental Pollution 244, 477-485, (2019).

Extended first-principles thermochemistry for the oxidation of titanium tetrachloride

Philipp Buerger, Jethro Akroyd, and Markus Kraft, Combustion and Flame 199, 441-450, (2019).

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, Chemical Science 10, 1342-1350, (2019).

Partitioning of polycyclic aromatic hydrocarbons in heterogeneous clusters

Kimberly L. Bowal, Jacob W. Martin, and Markus Kraft, Carbon 143, 247-256, (2019).

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, Proceedings of the Combustion Institute 37(2), 2047-2055, (2019).

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

Casper Lindberg, Manoel Y. Manuputty, Jethro Akroyd, and Markus Kraft, Combustion and Flame 202, 143-153, (2019).

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, Combustion and Flame 203, 56-71, (2019).

Enhanced Procurement and Production Strategies for Chemical Plants: Utilizing Real-Time Financial Data and Advanced Algorithms

Janusz Sikorski, Oliver R. Inderwildi, Mei Qi Lim, Sushant S. Garud, Johannes Neukäufer, and Markus Kraft, Industrial & Engineering Chemistry Research 58(8), 3072-3081, (2019).

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

Shaohua Wu, Casper Lindberg, Jethro Akroyd, Wenming Yang, and Markus Kraft, Computers & Chemical Engineering 124, 206-227, (2019).

Improved methodology for performing the inverse Abel transform of flame images for color ratio pyrometry

Jochen Dreyer, Radomir I. Slavchov, Eric J. Rees, Jethro Akroyd, Maurin Salamanca, Sebastian Mosbach, and Markus Kraft, Applied Optics 58(10), 2662-2670, (2019).

Box-Behnken design based CO₂ co-gasification of horticultural waste and sewage sludge with addition of ash from waste as catalyst

Xiang Kan, Xiaoping Chen, Ye Shen, Alexei A. Lapkin, Markus Kraft, and Chi-Hwa Wang, Applied Energy 242, 1549-1561, (2019).

Optimal site selection for modular nuclear power plants

Aravind Devanand, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 125, 339-350, (2019).

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, Proceedings of the Combustion Institute 37(1), 1117-1123, (2019).

2018

A systematic method to estimate and validate enthalpies of formation using error-cancelling balanced reactions

Philipp Buerger, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Combustion and Flame 187, 105-121, (2018).

Evaluating smart sampling for constructing multidimensional surrogate models

Sushant S. Garud, Iftekhar A. Karimi, George Brownbridge, and Markus Kraft, Computers & Chemical Engineering 108, 276-288, (2018).

A new iterative scheme for solving the discrete Smoluchowski equation

Alastair J. Smith, Clive G. Wells, and Markus Kraft, Journal of Computational Physics 352, 373-387, (2018).

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, Fuel 224, 499-506, (2018).

Incorporating seller/buyer reputation-based system in blockchain-enabled emission trading application

Khamila Nurul Khaqqi, Janusz Sikorski, Kunn Hadinoto, and Markus Kraft, Applied Energy 209, 8-19, (2018).

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, Chemical Engineering Science 188, 18-33, (2018).

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, Chemical Engineering Science 188, 221-237, (2018).

Vapor pressure and heat of vaporization of molecules that associate in the gas phase

Radomir I. Slavchov, Javor K. Novev, Sebastian Mosbach, and Markus Kraft, Industrial & Engineering Chemistry Research 57(16), 5722-5731, (2018).

Co₃O₄ and Fe_xCo_3-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, ACS Applied Energy Materials 1(2), 655-665, (2018).

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, Applied Energy 228, 1423-1438, (2018).

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, The Journal of Physical Chemistry C 122(38), 22210-22215, (2018).

LEAPS2: Learning based Evolutionary Assistive Paradigm for Surrogate Selection

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 119, 352-370, (2018).

An ontology framework towards decentralized information management for eco-industrial parks

Li Zhou, Chuan Zhang, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 118, 49-63, (2018).

2017

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, Combustion and Flame 176, 172-180, (2017).

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, Computers & Chemical Engineering 99, 171-184, (2017).

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, Journal of Computational Physics 330, 960-980, (2017).

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, Journal of Computational Physics 335, 516-534, (2017).

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, Applied Energy 190, 481-489, (2017).

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

Daniel Nurkowski, Ahren W. Jasper, Jethro Akroyd, and Markus Kraft, Zeitschrift für Physikalische Chemie 231(9), 1489-1506, (2017).

A big data framework to validate thermodynamic data for chemical species

Philipp Buerger, Jethro Akroyd, Jacob W. Martin, and Markus Kraft, Combustion and Flame 176, 584-591, (2017).

Outlier analysis for a silicon nanoparticle population balance model

Sebastian Mosbach, William J. Menz, and Markus Kraft, Combustion and Flame 177, 89-97, (2017).

Modelling TiO₂ formation in a stagnation flame using method of moments with interpolative closure

Manoel Y. Manuputty, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Combustion and Flame 178, 135-147, (2017).

Detailed population balance modelling of TiO₂ synthesis in an industrial reactor

Astrid Boje, Jethro Akroyd, Stephen Sutcliffe, John Edwards, and Markus Kraft, Chemical Engineering Science 164, 219-231, (2017).

A kinetic mechanism for the thermal decomposition of titanium tetraisopropoxide

Philipp Buerger, Daniel Nurkowski, Jethro Akroyd, and Markus Kraft, Proceedings of the Combustion Institute 36(1), 1019-1027, (2017).

Developing breakage models relating morphological data to the milling behaviour of flame synthesised titania particles

Casper Lindberg, Jethro Akroyd, and Markus Kraft, Chemical Engineering Science 166, 53-65, (2017).

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

Janusz Sikorski, Joy Haughton, and Markus Kraft, Applied Energy 195, 234-246, (2017).

Design of Computer Experiments: A Review

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 106, 71-95, (2017).

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, Advanced Powder Technology 28(9), 2239-2255, (2017).

Giant fullerene formation through thermal treatment of fullerene soot

Jacob W. Martin, Grant J. McIntosh, Rakesh Arul, Reece N. Oosterbeek, Markus Kraft, and Tilo Söhnel, Carbon 125, 132-138, (2017).

Knowledge management of eco-industrial park for efficient energy utilization through ontology-based approach

Chuan Zhang, Alessandro Romagnoli, Li Zhou, and Markus Kraft, Applied Energy 204, 1412-1421, (2017).

Towards an 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, Applied Energy 204, 1284-1298, (2017).

A random cloud algorithm for the Schrödinger equation

Markus Kraft and Wolfgang Wagner, Monte Carlo Methods and Applications 23(4), 221-240, (2017).

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, The Journal of Physical Chemistry C 121(48), 27154-27163, (2017).

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, and Markus Kraft, Proceedings of the Second International Conference on Internet of Things, Data and Cloud Computing (ICC '17) 107, 1-10, (2017).

Modelling of soot formation in a diesel engine with the moment projection method

Shaohua Wu, Edward K. Y. Yapp, Jethro Akroyd, Sebastian Mosbach, Rong Xu, Wenming Yang, and Markus Kraft, Energy Procedia 142, 4092-4097, (2017).

Smart Sampling Algorithm for Surrogate Model Development

Sushant S. Garud, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 96, 103-114, (2017).

2016

HRTEM evaluation of soot particles produced by the non-premixed combustion of liquid fuels

Maria Botero, Dongping Chen, Silvia Gonzalez Calera, David Jefferson, and Markus Kraft, Carbon 96, 459-473, (2016).

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, Applied Energy 163, 154-166, (2016).

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, Fuel 169, 111-119, (2016).

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, Combustion and Flame 167, 320-334, (2016).

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, Combustion and Flame 164, 250-258, (2016).

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

Maria Botero, Anders Selmer, Roger Watson, Mukta Bansal, and Markus Kraft, Education for Chemical Engineers 16, 1-8, (2016).

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, Applied Energy 175, 305-323, (2016).

Can nascent soot particles burn from the inside?

Peter Grancic, Jacob W. Martin, Dongping Chen, Sebastian Mosbach, and Markus Kraft, Carbon 109, 608-615, (2016).

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

Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Combustion and Flame 166, 243-254, (2016).

A spherical cavity model for quadrupolar dielectrics

Iglika Dimitrova, Radomir I. Slavchov, Tzanko I. Ivanov, and Sebastian Mosbach, The Journal of Chemical Physics 144, 114502, (2016).

Parameterisation of a biodiesel plant process flow sheet model

Janusz Sikorski, George Brownbridge, Sushant S. Garud, Sebastian Mosbach, Iftekhar A. Karimi, and Markus Kraft, Computers & Chemical Engineering 95, 108-122, (2016).

2015

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, Combustion and Flame 162(2), 486-495, (2015).

Microkinetic Modeling of Fischer-Tropsch Synthesis over Cobalt Catalysts

Pooya Azadi, George Brownbridge, Immanuel Kemp, Sebastian Mosbach, John S. Dennis, and Markus Kraft, ChemCatChem (CCtC) 7(1), 137-143, (2015).

Characterisation of lactose powder and granules for multivariate wet granulation modelling

Jan-Georg Rosenboom, Sergiy Antonyuk, Stefan Heinrich, and Markus Kraft, Chemical Engineering Science 123, 395-405, (2015).

A multi-compartment population balance model for high shear granulation

Kok Foong Lee, Sebastian Mosbach, Markus Kraft, and Wolfgang Wagner, Computers & Chemical Engineering 75, 1-13, (2015).

Influence of experimental observations on n-propylbenzene kinetic parameter estimates

Sebastian Mosbach and Markus Kraft, Proceedings of the Combustion Institute 35, 357-365, (2015).

Surface reactivity of polycyclic aromatic hydrocarbon clusters

Dongping Chen, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Proceedings of the Combustion Institute 35, 1811-1818, (2015).

A detailed kinetic study of the thermal decomposition of tetraethoxysilane

Daniel Nurkowski, Philipp Buerger, Jethro Akroyd, and Markus Kraft, Proceedings of the Combustion Institute 35, 2291-2298, (2015).

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, Zeitschrift für Physikalische Chemie 229(5), 691-708, (2015).

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, Green Chemistry 17(3), 1793-1801, (2015).

Particle Formation and Models

David Kittelson and Markus Kraft, Encyclopedia of Automotive Engineering, 1-23, (2015).

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, Fuel 153, 31-39, (2015).

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, Joaquin Camacho, and Hai Wang, Combustion and Flame 162, 2569-2581, (2015).

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

Catharine A. Kastner, Raymond Lau, and Markus Kraft, Applied Energy 155, 599-612, (2015).

First-Principles Thermochemistry for the Thermal Decomposition of Titanium Tetraisopropoxide

Philipp Buerger, Daniel Nurkowski, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Journal of Physical Chemistry A 119(30), 8376-8387, (2015).

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, Energy Procedia 75, 1536-1541, (2015).

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, Journal of Computational Physics 303, 1-18, (2015).

2014

Stochastic solution of population balance equations for reactor networks

William J. Menz, Jethro Akroyd, and Markus Kraft, Journal of Computational Physics 256, 615-629, (2014).

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, Applied Energy 113, 1632-1644, (2014).

The future viability of algae-derived biodiesel under economic and technical uncertainties

George Brownbridge, Pooya Azadi, Andrew J. Smallbone, Amit Bhave, Benjamin J. Taylor, and Markus Kraft, Bioresource Technology (BITE) 151, 166-173, (2014).

Size-dependent melting of polycyclic aromatic hydrocarbon nano-clusters: A molecular dynamics study

Dongping Chen, Tim Totton, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Carbon 67, 79-91, (2014).

Lifting a buried object: Reverse hopper theory

Kok Foong Lee, John F. Davidson, Jethro Akroyd, and Markus Kraft, Chemical Engineering Science 105, 198-207, (2014).

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, International Journal of Chemical Kinetics 46(7), 389-404, (2014).

Sooting tendency of paraffin components of diesel and gasoline in diffusion flames

Maria Botero, Sebastian Mosbach, and Markus Kraft, Fuel 126, 8-15, (2014).

Phase change of polycyclic aromatic hydrocarbon clusters by mass addition

Dongping Chen, Tim Totton, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Carbon 77, 25-35, (2014).

Global sensitivity analysis of a model for silicon nanoparticle synthesis

William J. Menz, George Brownbridge, and Markus Kraft, Journal of Aerosol Science 76, 188-199, (2014).

Production of Biorenewable Hydrogen and Syngas via Algae Gasification: A Sensitivity Analysis

Pooya Azadi, George Brownbridge, Sebastian Mosbach, Oliver R. Inderwildi, and Markus Kraft, Energy Procedia 61, 2767-2770, (2014).

Gigaseal Mechanics: Creep of the Gigaseal under the Action of Pressure, Adhesion, and Voltage

Radomir I. Slavchov, Takeshi Nomura, Boris Martinac, Masahiro Sokabe, and Frederick Sachs, Journal of Physical Chemistry B 118, 12660-12672, (2014).

Quadrupole terms in the Maxwell equations: Born energy, partial molar volume, and entropy of ions

Radomir I. Slavchov and Tzanko I. Ivanov, Journal of Chemical Physics 140, 74503, (2014).

Markov chain model for the critical micelle concentration of surfactant mixtures

Radomir I. Slavchov and George S. Georgiev, Colloid and Polymer Science 292(11), 2927-2937, (2014).

Quadrupole terms in the Maxwell equations: Debye-Hückel theory in quadrupolarizable solvent and self-salting-out of electrolytes

Radomir I. Slavchov, Journal of Chemical Physics 140, 164510, (2014).

2013

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, Chemical Engineering Science 89, 244-257, (2013).

A fully coupled simulation of PAH and soot growth with a population balance model

Dongping Chen, Zakwan Zainuddin, Edward K. Y. Yapp, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Proceedings of the Combustion Institute 34, 1827-1835, (2013).

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, Applied Energy 106, 262-274, (2013).

A new model for silicon nanoparticle synthesis

William J. Menz and Markus Kraft, Combustion and Flame 160, 947-958, (2013).

The Suitability of Particle Models in Capturing Aggregate Structure and Polydispersity

William J. Menz and Markus Kraft, Aerosol Science and Technology 47, 734-745, (2013).

Impact of powder characteristics on a particle granulation model

Catharine A. Kastner, George Brownbridge, Sebastian Mosbach, and Markus Kraft, Chemical Engineering Science 97, 282-295, (2013).

Application of stochastic weighted algorithms to a multidimensional silica particle model

William J. Menz, Robert I. A. Patterson, Wolfgang Wagner, and Markus Kraft, Journal of Computational Physics 248, 221-234, (2013).

An improved methodology for determining threshold sooting indices from smoke point lamps

Roger Watson, Maria Botero, Christopher Ness, Neal M. Morgan, and Markus Kraft, Fuel 111, 120-130, (2013).

Corrigendum to "Impact of powder characteristics on a particle granulation model"

Catharine A. Kastner, George Brownbridge, Sebastian Mosbach, and Markus Kraft, Chemical Engineering Science 99, 102-102, (2013).

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

Ali M. Aldawood, Sebastian Mosbach, Markus Kraft, and Amer A. Amer, SAE Paper 2013-01-1673.

Modelling Soot Formation: Model of Particle Formation

Edward K. Y. Yapp and Markus Kraft, Cleaner Combustion, 389-407, (2013).

2012

The semantics of Chemical Markup Language (CML) for computational chemistry: CompChem

Weerapong Phadungsukanan, Markus Kraft, Joe Townsend, and Peter Murray-Rust, Journal of Cheminformatics 4, 15, (2012).

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, Journal of Aerosol Science 44, 93-98, (2012).

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

William J. Menz, Shraddha Shekar, George Brownbridge, Sebastian Mosbach, Richard Körmer, Wolfgang Peukert, and Markus Kraft, Journal of Aerosol Science 44, 46-61, (2012).

Modelling the flame synthesis of silica nanoparticles from tetraethoxysilane

Shraddha Shekar, Markus Sander, Rebecca Shaw, Alastair J. Smith, Andreas Braumann, and Markus Kraft, Chemical Engineering Science 70, 54-66, (2012).

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, Combustion and Flame 159, 1303-1313, (2012).

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

Tim Totton, Alston J. Misquitta, and Markus Kraft, Physical Chemistry Chemical Physics 14, 4081-4096, (2012).

Solubilities of some organic solutes in 1-ethyl-3-methylimidazolium acetate. Chromatographic measurements and predictions from COSMO-RS

Jan-Georg Rosenboom, Waheed Afzal, and John M. Prausnitz, Journal of Chemical Thermodynamics 47, 320-327, (2012).

Spark ignition to homogeneous charge compression ignition mode transition study: a new modelling approach

Hao Wu, Nick Collings, Jonathan E. Etheridge, Sebastian Mosbach, and Markus Kraft, The International Journal of Engine Research 13, 1-25, (2012).

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

Ali M. Aldawood, Sebastian Mosbach, and Markus Kraft, SAE Paper 2012-01-1117.

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

Shraddha Shekar, William J. Menz, Alastair J. Smith, Markus Kraft, and Wolfgang Wagner, Computers & Chemical Engineering 43, 130-147, (2012).

2011

Optimisation of injection strategy, combustion characteristics and emissions for IC engines using advanced simulation technologies

Jonathan E. Etheridge, Amit Bhave, Aaron R. Coble, Andrew J. Smallbone, Sebastian Mosbach, and Markus Kraft, SAE Paper 2011-26-0080.

Modelling cycle to cycle variations in an SI engine with detailed chemical kinetics

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, Combustion and Flame 158, 179-188, (2011).

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

Tim Totton, Raphael Shirley, and Markus Kraft, Proceedings of the Combustion Institute 33, 493-500, (2011).

Modelling soot formation in a DISI engine

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, Proceedings of the Combustion Institute 33, 3159-3167, (2011).

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, Proceedings of the Combustion Institute 33, 675-683, (2011).

A mechanistic study on the simultaneous elimination of soot and nitric oxide from engine exhaust

Abhijeet Raj, Zakwan Zainuddin, Markus Sander, and Markus Kraft, Carbon 49, 1516-1531, (2011).

Surface Chemistry and Particle Shape: Processes for the Evolution of Aerosols in Titan's Atmosphere

Panayotis Lavvas, Markus Sander, Markus Kraft, and Hiroshi Imanaka, The Astrophysical Journal 728(80), 1-11, (2011).

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, SAE Paper 2011-01-1388.

Automated IC engine model development with uncertainty propagation

George Brownbridge, Andrew J. Smallbone, Weerapong Phadungsukanan, Markus Kraft, and Bengt Johansson, SAE Paper 2011-01-0237.

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, SAE Paper 2011-01-0849.

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

Andrew J. Smallbone, Aaron R. Coble, Amit Bhave, Sebastian Mosbach, Markus Kraft, Neal M. Morgan, and Gautam Kalghatgi, SAE Paper 2011-01-1184.

A transferable electrostatic model for intermolecular interactions between polycyclic aromatic hydrocarbons

Tim Totton, Alston J. Misquitta, and Markus Kraft, Chemical Physics Letters 510(1-3), 154-160, (2011).

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, Chemical Engineering Science 66, 3792-3805, (2011).

Stochastic weighted particle methods for population balance equations

Robert I. A. Patterson, Wolfgang Wagner, and Markus Kraft, Journal of Computational Physics 230, 7456-7472, (2011).

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

Ali M. Aldawood, Sebastian Mosbach, Markus Kraft, and Amer A. Amer, SAE Paper 2011-01-1783.

Theoretical insights into the surface growth of rutile TiO₂

Raphael Shirley, Jethro Akroyd, Luke Miller, Oliver R. Inderwildi, Uwe Riedel, and Markus Kraft, Combustion and Flame 158(10), 1868-1876, (2011).

The Inverse Problem in Granulation Modeling - Two Different Statistical Approaches

Andreas Braumann, Peter L.W. Man, and Markus Kraft, AIChE Journal 57(11), 3105-3121, (2011).

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

Tim Totton, Alston J. Misquitta, and Markus Kraft, Journal of Physical Chemistry A 115, 13684-13693, (2011).

A survey of the potential energy surface for the (benzene)₁₃ cluster

Dwaipayan Chakrabarti, Tim Totton, Markus Kraft, and David Wales, Physical Chemistry Chemical Physics 13, 21362-21366, (2011).

2010

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, Carbon 48, 319-332, (2010).

Simulating the structural evolution of droplets following shell formation

Christopher S. Handscomb and Markus Kraft, Chemical Engineering Science 65, 713-725, (2010).

Parameter estimation in a multidimensional granulation model

Andreas Braumann, Markus Kraft, and Paul R. Mort, Powder Technology 197, 196-210, (2010).

Incorporating experimental uncertainties into multivariate granulation modelling

Andreas Braumann and Markus Kraft, Chemical Engineering Science 65, 1088-1100, (2010).

Statistical approximation of the inverse problem in multivariate population balance modeling

Andreas Braumann, Peter L.W. Man, and Markus Kraft, Industrial & Engineering Chemistry Research 49, 428-438, (2010).

A Detailed Chemistry Simulation of the SI-HCCI Transition

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, SAE International Journal of Fuels and Lubricants 3(1), 230-240, (2010).

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

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, SAE Paper 2010-01-1241.

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

Abhijeet Raj, Markus Sander, Vinod Janardhanan, and Markus Kraft, Combustion and Flame 157, 523-534, (2010).

Numerical investigation of DQMoM-IEM as a turbulent reaction closure

Jethro Akroyd, Alastair J. Smith, Laurence R. McGlashan, and Markus Kraft, Chemical Engineering Science 65(6), 1915-1924, (2010).

Coupling Algorithms for Calculating Sensitivities of Smoluchowski's Coagulation Equation

Peter L.W. Man, James R. Norris, Ismael F. Bailleul, and Markus Kraft, SIAM Journal on Scientific Computing 32, 635-655, (2010).

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

Raphael Shirley, Markus Kraft, and Oliver R. Inderwildi, Physical Review B 81, 7511, (2010).

Modelling the internal structure of nascent soot particles

Tim Totton, Dwaipayan Chakrabarti, Alston J. Misquitta, Markus Sander, David Wales, and Markus Kraft, Combustion and Flame 157, 909-914, (2010).

A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons

Tim Totton, Alston J. Misquitta, and Markus Kraft, Journal of Chemical Theory and Computation 6(3), 683-695, (2010).

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, SAE Paper 2010-01-0152.

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, SAE Paper 2010-01-0572.

Comment on "Low Fractal Dimension Cluster-Dilute Soot Aggregates from a Premixed Flame"

Markus Sander, Robert I. A. Patterson, Abhijeet Raj, and Markus Kraft, Physical Review Letters 104, 119601, (2010).

Mapping surrogate gasoline compositions into RON/MONspace

Neal M. Morgan, Andrew J. Smallbone, Amit Bhave, Markus Kraft, Roger Cracknell, and Gautam Kalghatgi, Combustion and Flame 157, 1122-1131, (2010).

Resolving conflicting parameter estimates in multivariate population balance models

Peter L.W. Man, Andreas Braumann, and Markus Kraft, Chemical Engineering Science 65, 4038-4045, (2010).

The future of computational modelling in reaction engineering

Markus Kraft and Sebastian Mosbach, Philosophical Transactions 368, 3633-3644, (2010).

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

Andreas Braumann, Markus Kraft, and Wolfgang Wagner, Journal of Computational Physics 229(20), 7672-7691, (2010).

Laminar flame speeds of C5 to C8 n-alkanes at elevated pressures: Experimental determination, fuel similarity, and stretch sensitivity

A. P. Kelley, Andrew J. Smallbone, D. L. Zhu, and C. K. Law, Proceedings of the Combustion Institute, (2010).

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

Ismael F. Bailleul, Peter L.W. Man, and Markus Kraft, Society for Industrial and Applied Mathematics (SIAM) Journal on Numerical Analysis 48(3), 1064-1086, (2010).

Experimental Investigation of Control Method for SI-HCCI-SI Transition in a Multi-Cylinder Gasoline Engine

Hao Wu, Nick Collings, Simon Regitz, Jonathan E. Etheridge, and Markus Kraft, SAE Paper 2010-01-1245.

First-Principles Thermochemistry for Gas Phase Species in an Industrial Rutile Chlorinator

Raphael Shirley, Weerapong Phadungsukanan, Markus Kraft, Jim Downing, Nick E. Day, and Peter Murray-Rust, Journal of Physical Chemistry A 114, 11825-11832, (2010).

Comparison of the stochastic fields method and DQMoM-IEM as turbulent reaction closures

Jethro Akroyd, Alastair J. Smith, Laurence R. McGlashan, and Markus Kraft, Chemical Engineering Science 65(20), 5429-5441, (2010).

Justification of biexponential rate law of spreading over heterogeneous and rough surfaces

Radomir I. Slavchov, Victoria Dutschk, Gert Heinrich, and Boryan Radoev, Colloids and Surfaces A: Physicochemical and Engineering Aspects 345, 252-260, (2010).

2009

A New Model for the Drying of Droplets Containing Suspended Solids

Christopher S. Handscomb, Markus Kraft, and Andrew E. Bayly, Chemical Engineering Science 64(4), 628-637, (2009).

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, Proceedings of the Combustion Institute 32, 639-646, (2009).

A New Model for the Drying of Droplets Containing Suspended Solids After Shell Formation

Christopher S. Handscomb, Markus Kraft, and Andrew E. Bayly, Chemical Engineering Science 64(2), 228-246, (2009).

HCCI Combustion Phasing Transient Control by Hydrogen-Rich Gas: Investigation Using a Fast Detailed-Chemistry Full-Cycle Model

Ali M. Aldawood, Sebastian Mosbach, and Markus Kraft, SAE Paper 2009-01-1134.

A Detailed Chemistry Multi-cycle Simulation of a Gasoline Fueled HCCI Engine Operated with NVO

Jonathan E. Etheridge, Sebastian Mosbach, Markus Kraft, Hao Wu, and Nick Collings, SAE International Journal of Fuels and Lubricants 2(1), 13-27, (2009).

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

Li Cao, Amit Bhave, Sebastian Mosbach, Haiyun Su, Markus Kraft, Antonis Dris, and Robert M. McDavid, SAE International Journal of Engines 2(1), 1019-1033, (2009).

The simultaneous reduction of nitric oxide and soot in emissions from diesel engines

Markus Sander, Abhijeet Raj, Oliver R. Inderwildi, Markus Kraft, Sven Kureti, and Henning Bockhorn, Carbon 47, 866-875, (2009).

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, Journal of Computational Physics 228, 2758-2769, (2009).

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, Combustion and Flame 156, 896-913, (2009).

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

Sebastian Mosbach and Amanda G. Turner, Computers and Mathematics with Applications 57(7), 1157-1167, (2009).

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, Combustion and Flame 156(6), 1156-1165, (2009).

Der Weg zu einem detaillierten Russmodell für Verbrennungsmotoren

Sebastian Mosbach, Markus Kraft, Hongzhi R. Zhang, Shuichi Kubo, and Kyoung-Oh Kim, Motortechnische Zeitschrift (MTZ) 5, 408-412, (2009).

A Detailed Model for the Sintering of Polydispersed Nanoparticle Agglomerates

Markus Sander, Richard H. West, Matthew S. Celnik, and Markus Kraft, Aerosol Science and Technology 43, 978-989, (2009).

Gas and soot products formed in the pyrolysis of acetylene-ethanol blends under flow reactor conditions

Claudia Esarte, Angela Millera, Rafael Bilbao, and Maria U. Alzueta, Fuel Processing Technology 90, 496-503, (2009).

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, Journal of Physical Chemistry A 113(31), 9041-9049, (2009).

A detailed kinetic model for combustion synthesis of titania from TiCl4

Richard H. West, Raphael Shirley, Markus Kraft, C. F. Goldsmith, and William H. Green, Combustion and Flame 156, 1764-1770, (2009).

First-Principles Thermochemistry for the Combustion of a TiCl₄ and AlCl₃ Mixture

Raphael Shirley, Yaoyao Liu, Tim Totton, Richard H. West, and Markus Kraft, Journal of Physical Chemistry A 113, 13790-13796, (2009).

Experimental and modeling study of laminar flame speed and non-premixed counterflow ignition of n-heptane

Andrew J. Smallbone, W. Liu, C. K. Law, Xiaoqing You, and Hai Wang, Proceedings of the Combustion Institute 32, 1245-1252, (2009).

2008

Modes of neck growth in nanoparticle aggregates

Neal M. Morgan, Robert I. A. Patterson, and Markus Kraft, Combustion and Flame 152(2), 272-275, (2008).

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, Carbon 46(3), 422-433, (2008).

Modelling study of single walled carbon nanotube formation in a premixed flame

John Wen, Matthew S. Celnik, Henning Richter, Meri Treska, John BVander Sande, and Markus Kraft, Journal of Materials Chemistry 18(13), 1582-1591, (2008).

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, Amit Bhave, Sanghoon Kook, and Choongsik Bae, SAE Paper 2008-01-0021.

Real-Time Evaluation of a Detailed Chemistry HCCI Engine Model Using a Tabulation Technique

Sebastian Mosbach, Ali M. Aldawood, and Markus Kraft, Combustion Science and Technology 180(7), 1263-1277, (2008).

Aromatic site description of soot particles

Matthew S. Celnik, Abhijeet Raj, Richard H. West, Robert I. A. Patterson, and Markus Kraft, Combustion and Flame 155(1-2 ), 161-180, (2008).

Coupling Algorithms for Calculating Sensitivities of Population Balances

Peter L.W. Man, Markus Kraft, and James R. Norris, AIP Conference Proceedings 1048, 927-930, (2008).

Oxidation of acetylene-ethanol mixtures and their interaction with NO

Maria Abian, Claudia Esarte, Angela Millera, Rafael Bilbao, and Maria U. Alzueta, Energy and Fuels 22, 3814-3823, (2008).

2007

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

Andreas Braumann, Mike J. Goodson, Markus Kraft, and Paul R. Mort, Chemical Engineering Science 62, 4717-4728, (2007).

Toward 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, Industrial & Engineering Chemistry Research 46(19), 6147-6156, (2007).

First-Principles Thermochemistry for the Production of TiO₂ from TiCl₄

Richard H. West, Gregory J.O. Beran, William H. Green, and Markus Kraft, Journal of Physical Chemistry A 111(18), 3560-3565, (2007).

Formaldehyde and hydroxyl radicals in an HCCI engine - calculations and LIF-measurements

Per Amneus, M. Tuner, Fabian Mauss, R. Collin, J. Nygren, M. Richter, M. Alden, Markus Kraft, Amit Bhave, L. Hildingsson, and Bengt Johansson, SAE Paper 2007-01-0049.

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, Combustion and Flame 148(3), 158-176, (2007).

Numerical simulations of soot aggregation in premixed laminar flames

Neal M. Morgan, Markus Kraft, Michael Balthasar, David Wong, Michael Frenklach, and Pablo Mitchell, Proceedings of the Combustion Institute 31(1), 693-700, (2007).

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

Oliver R. Inderwildi and Markus Kraft, Chem Phys Chem 8, 444-451, (2007).

Two Stage Fuel Direct Injection in a Diesel Fuelled HCCI Engine

Haiyun Su, Sebastian Mosbach, Markus Kraft, Amit Bhave, Sanghoon Kook, and Choongsik Bae, SAE Paper 2007-01-1880.

Dual injection homogeneous charge compression ignition engine simulation using a stochastic reactor model

Sebastian Mosbach, Haiyun Su, Markus Kraft, Amit Bhave, Fabian Mauss, Zhi Wang, and Jian-Xin Wang, The International Journal of Engine Research 8(1), 41-50, (2007).

Models for the aggregate structure of soot particles

Robert I. A. Patterson and Markus Kraft, Combustion and Flame 151, 160-172, (2007).

Weblabs in Chemical Engineering Education

Anders Selmer, Markus Kraft, Ralf Moros, and Clark K. Colton, Education for Chemical Engineers 2, 38-45, (2007).

The Influence of Thermo-Diffusive Effects on Premixed Turbulent Flame Propagation Rates at Elevated Pressures

Andrew J. Smallbone and Toshiaki Kitagawa, Proceedings of the 6th Asia-Pacific Conference on Combustion, (2007).

Propagation and Quench of Premixed Turbulent Flames

Toshiaki Kitagawa, Andrew J. Smallbone, and Tetsuo Oonishi, SAE Paper 2007-01-1828.

2006

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, Combustion and Flame 145, 117-127, (2006).

Droplets population balance in a rotating disc contactor: an inverse problem approach

Alexander Vikhansky, Markus Kraft, M. Simon, S. Schmidt, and H.-J. Bart, AIChE Journal 52, 1441-1450, (2006).

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, SAE Paper 2006-01-1362.

An explicit numerical scheme for homogeneous gas-phase high-temperature combustion systems

Sebastian Mosbach and Markus Kraft, Combustion Theory and Modelling 10(1), 171-182, (2006).

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, Journal of Computational Physics 211(2), 638-658, (2006).

A computational study of an HCCI engine with direct injection during gas exchange

Haiyun Su, Alexander Vikhansky, Sebastian Mosbach, Markus Kraft, Amit Bhave, Kyoung-Oh Kim, Tatsuo Kobayashi, and Fabian Mauss, Combustion and Flame 147, 118-132, (2006).

Two methods for sensitivity analysis of coagulation processes in population balances by a Monte Carlo method

Alexander Vikhansky and Markus Kraft, Chemical Engineering Science 61(15), 4966-4972, (2006).

Explicit Stochastic ODE Solution Methods Applied to High-Temperature Combustion

Sebastian Mosbach and Markus Kraft, Monte Carlo Methods and Applications 12(1), 19-45, (2006).

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, SIAM Journal on Scientific Computing 28(1), 303-320, (2006).

Extending stochastic soot simulation to higher pressures

Robert I. A. Patterson, Jasdeep Singh, Michael Balthasar, Markus Kraft, and Wolfgang Wagner, Combustion and Flame 145(3), 638-642, (2006).

A stochastic approximation scheme and convergence theorem for particle interactions with perfectly reflecting boundary conditions

Clive G. Wells, Monte Carlo Methods and Applications 12(3), 291-342, (2006).

Sources of CO emissions in an HCCI engine: A numerical analysis

Amit Bhave, Markus Kraft, Luca Montorsi, and Fabian Mauss, Combustion and Flame 144, 634-637, (2006).

A new method for calculating the diameters of partially-sintered nanoparticles and its effect on simulated particle properties

Clive G. Wells, Neal M. Morgan, Markus Kraft, and Wolfgang Wagner, Chemical Engineering Science 61(1), 158-166, (2006).

Stochastic particle methods for the simulation of soot particles in combustion processes

Markus Kraft, American Chemical Society: Preprint Papers, Division of Fuel Chemistry 51(1), 172-173, (2006).

Premixed Laminar and Turbulent Combustion: an Examination and Correlation in Terms of Lewis Number

Andrew J. Smallbone and Toshiaki Kitagawa, FISITA Transactions (Yokohama2006/F2006P153), (2006).

Turbulent and Stable/Unstable Laminar Burning Velocity Measurements from Outwardly Propagating Spherical Hydrogen-Air Flames at Elevated Pressures

Andrew J. Smallbone, Kousaku Tsuneyoshi, and Toshiaki Kitagawa, Journal of Thermal Science and Technology 1, 31-41, (2006).

Unstretched laminar burning velocity estimations from unstable flames at elevated pressures

Andrew J. Smallbone, Toshiaki Kitagawa, and Tetsuo Oonishi, Proceedings of the JSAE 91(20065843), 15-20, (2006).

Laminar Burning Velocity Measurements of Hydrogen-Air Mixtures at Elevated Pressures

Andrew J. Smallbone and Toshiaki Kitagawa, Proceedings of the JSAE 3, (2006).

2005

Stochastic modeling of soot particle size and age distributions in laminar premixed flames

Jasdeep Singh, Michael Balthasar, Markus Kraft, and Wolfgang Wagner, Proceedings of the Combustion Institute 30, 1457-1465, (2005).

Single-particle method for stochastic simulation of coagulation processes

Alexander Vikhansky and Markus Kraft, Chemical Engineering Science 60, 963-967, (2005).

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

Alexander Vikhansky and Markus Kraft, Journal of Computational Physics 203, 371-378, (2005).

Modelling nanoparticle dynamics: coagulation, sintering, particle inception and surface growth

Neal M. Morgan, Clive G. Wells, Markus Kraft, and Wolfgang Wagner, Combustion Theory and Modelling 9(3), 449-461, (2005).

A new algorithm for the direct simulation of combustion systems and its application to reaction elimination

Sebastian Mosbach, Haiyun Su, and Markus Kraft, Proceedings of the Combustion Institute 30(1), 1301-1308, (2005).

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

Clive G. Wells and Markus Kraft, Monte Carlo Methods and Applications 11(2), 175-199, (2005).

Modelling of particulate processes

Markus Kraft, Kona, Powder and Particle 23, 18-35, (2005).

Kinetic Monte Carlo simulations of soot particle aggregation

Michael Balthasar, Markus Kraft, and Michael Frenklach, American Chemical Society: Preprint Papers, Division of Fuel Chemistry 50(1), 135-136, (2005).

Using a web module to teach stochastic modeling

Markus Kraft, Sebastian Mosbach, and Wolfgang Wagner, Chemical Engineering Education 39(3), 244-248, (2005).

Performing process control experiments across the Atlantic

Anders Selmer, Mike J. Goodson, Markus Kraft, Siddhartha Sen, V. Faye McNeill, Barry S. Johnston, and Clark K. Colton, Chemical Engineering Education 39(3), 232-237, (2005).

Evaluating the EGR-AFR Operating Range of a HCCI Engine

Amit Bhave, Markus Kraft, Fabian Mauss, Aaron Oakley, and Hua Zhao, SAE Paper 2005-01-0161.

NO_x and N₂O formation in HCCI Engines

Per Amneus, Fabian Mauss, Markus Kraft, Andreas Vressner, and Bengt Johansson, SAE Paper 2005-01-0126.

The Effects of Pressure on Turbulent Burning Velocity of Premixed Flames and Their Correlations with Lewis Number

Toshiaki Kitagawa, Kousaku Tsuneyoshi, and Andrew J. Smallbone, JSAE Transactions (18ICES/029), (2005).

2004

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

Amit Bhave and Markus Kraft, SIAM Journal on Scientific Computing 25(5), 1798-1823, (2004).

A Monte Carlo methods for identification and sensitivity analysis of coagulation processes

Alexander Vikhansky and Markus Kraft, Journal of Computational Physics 200, 50-59, (2004).

Modelling of a RDC using a combined CFD-population balance approach

Alexander Vikhansky and Markus Kraft, Chemical Engineering Science 59, 2597-2606, (2004).

Simulation of coalescence and breakage: an assessment of two stochastic methods suitable for simulating liquid-liquid extraction

Mike J. Goodson and Markus Kraft, Chemical Engineering Science 59, 3865-3881, (2004).

Bivariate Stochastic Modelling of Nanoparticles

Neal M. Morgan, Clive G. Wells, Markus Kraft, and Wolfgang Wagner, Proceedings, International Conference on Population Balance Modelling 2, (2004).

A combined CFD-population balance approach for multiphase turbulent flows

Alexander Vikhansky, Markus Kraft, M. Simon, S. Schmidt, and H.-J. Bart, International Conference on Population Balance Modelling 2, (2004).

A multi-dimensional population balance model for agglomeration

Mike J. Goodson, Markus Kraft, Sarah Forrest, and John Bridgwater, PARTEC, 24-2, (2004).

Analysis of a natural gas fuelled homogeneous charge compression ignition engine with exhaust gas recirculation using a stochastic reactor model

Amit Bhave, Michael Balthasar, Markus Kraft, and Fabian Mauss, The International Journal of Engine Research 5(1), 93-104, (2004).

Modelling a Dual-fuelled Multi-Cylinder HCCI Engine Using a PDF-based Engine Cycle Simulator

Amit Bhave, Markus Kraft, Luca Montorsi, and Fabian Mauss, SAE Paper 2004-01-0561.

Investigating Control Options And Evaluating Operating Window For HCCI Engine Operation

Amit Bhave, Markus Kraft, Fabian Mauss, and Hua Zhao, Society for Industrial and Applied Mathematics (SIAM), (2004).

The Influence of Simulated Residual and NO Concentrations on Knock Onset for PRFs and Gasolines

A. A. Burluka, K. Liu, C. G.W. Sheppard, Andrew J. Smallbone, and R. Woolley, SAE Paper 2004-01-2998.

2003

Homogeneous Charge Compression Ignition Engine: A Simulation Study on the Effects of Inhomogeneities

P. Maigaard, Fabian Mauss, and Markus Kraft, Journal of Engineering for Gas Turbines and Power 125, 466-471, (2003).

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

Michael Balthasar and Markus Kraft, Combustion and Flame 133, 289-298, (2003).

Analysis of the HCCI Combustion of a Turbocharged Truck Engine Using a Stochastic Reactor Model

Luca Montorsi, Fabian Mauss, Gian Marco Bianchi, Amit Bhave, and Markus Kraft, ASME ICES2003 (ICES 2003-681), (2003).

2002

An efficient stochastic chemistry approximation for the PDF transport equation

Markus Kraft and Wolfgang Wagner, Monte Carlo Methods and Applications 8(4), 371-394, (2002).