Full List of the Computational Modelling Group's Publications.
Number of publications listed in category: 3702024
Knowledge graph representation of zeolitic crystalline materials
Aleksandar Kondinski, Pavlo Rutkevych, Laura Pascazio, Dan N. Tran, Feroz Farazi, Srishti Ganguly, and Markus Kraft, Digital Discovery 3, 2070-2084, (2024).
Simon D. Rihm, Yong Ren Tan, Wilson Ang, Hou Yee Quek, Xinhong Deng, Michael Teguh Laksana, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Nexus 1(3), 100031, (2024).
Urban Vulnerability Assessment of Sea Level Rise in Singapore through the World Avatar
Shin Zert Phua, Kok Foong Lee, Yi-Kai Tsai, Srishti Ganguly, Jingya Yan, Sebastian Mosbach, Trina Ng, Aurel Moise, Benjamin P. Horton, and Markus Kraft, Applied Science 14(17), 7815, (2024).
Fostering urban resilience and accessibility in cities: A dynamic knowledge graph approach
Shin Zert Phua, Markus Hofmeister, Yi-Kai Tsai, Oisín Peppard, Kok Foong Lee, Seán Courtney, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Sustainable Cities and Society 113, 105708, (2024).
Question-answering system for combustion kinetics
Laura Pascazio, Dan N. Tran, Simon D. Rihm, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Proceedings of the Combustion Institute 40, 105428, (2024).
Markus Hofmeister, Kok Foong Lee, Yi-Kai Tsai, Magnus Müller, Karthik Nagarajan, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Energy and AI 17, 100376, (2024).
Dynamic knowledge graph approach for modelling the decarbonisation of power systems
Wanni Xie, Feroz Farazi, John Atherton, Jiaru Bai, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Energy and AI 17, 100359, (2024).
Semantic agent framework for automated flood assessment using dynamic knowledge graphs
Markus Hofmeister, Jiaru Bai, George Brownbridge, Sebastian Mosbach, Kok Foong Lee, Feroz Farazi, Michael Hillman, Mehal Agarwal, Srishti Ganguly, Jethro Akroyd, and Markus Kraft, Data-Centric Engineering 5, 14, (2024).
The digital lab manager: Automating research support
Simon D. Rihm, Yong Ren Tan, Wilson Ang, Markus Hofmeister, Xinhong Deng, Michael Teguh Laksana, Hou Yee Quek, Jiaru Bai, Laura Pascazio, Sim Chun Siong, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, SLAS Technology 29(3), 100135, (2024).
Dynamic knowledge graph applications for augmented built environments through ‘‘The World Avatar’’
Hou Yee Quek, Markus Hofmeister, Simon D. Rihm, Jingya Yan, Jiawei Lai, George Brownbridge, Michael Hillman, Sebastian Mosbach, Wilson Ang, Yi-Kai Tsai, Dan N. Tran, Soon Kang, William Tan, and Markus Kraft, Journal of Building Engineering 91, 109507, (2024).
Hacking decarbonization with a community-operated CreatorSpace
Aleksandar Kondinski, Sebastian Mosbach, Jethro Akroyd, Andrew Breeson, Yong Ren Tan, Simon D. Rihm, Jiaru Bai, and Markus Kraft, Chem 10(4), 1071-1083, (2024).
A nuclear future? Small Modular Reactors in a carbon tax-driven transition to clean energy
Wanni Xie, John Atherton, Jiaru Bai, Feroz Farazi, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Applied Energy 364, 123128, (2024).
Leveraging Text-to-Text Pretrained Language Models for Question Answering in Chemistry
Dan N. Tran, Laura Pascazio, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, ACS Omega 9(12), 13883-13896, (2024).
Transforming research laboratories with connected digital twins
Simon D. Rihm, Jiaru Bai, Aleksandar Kondinski, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Nexus 1(1), 100004, (2024).
Andreas Eibeck, Shaocong Zhang, Mei Qi Lim, and Markus Kraft, Journal of Web Semantics 80, 100815, (2024).
A dynamic knowledge graph approach to distributed self-driving laboratories
Jiaru Bai, Sebastian Mosbach, Connor J. Taylor, Dogancan Karan, Kok Foong Lee, Simon D. Rihm, Jethro Akroyd, Alexei A. Lapkin, and Markus Kraft, Nature Communications 15, 462, (2024).
Thorsten Jelinek, Amit Bhave, Nicolas Buchoud, Michael M Bühler, Patrick Glauner, Oliver R. Inderwildi, Markus Kraft, Charles Mok, Konrad Nübel, and Axel Voss, IEEE Transactions on Industrial Cyber-Physical Systems 2, 26-34, (2024).
A derived information framework for a dynamic knowledge graph and its application to smart cities
Jiaru Bai, Kok Foong Lee, Markus Hofmeister, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Future Generation Computer Systems 152, 112-126, (2024).
Cross-domain flood risk assessment for smart cities using dynamic knowledge graphs
Markus Hofmeister, George Brownbridge, Michael Hillman, Sebastian Mosbach, Jethro Akroyd, Kok Foong Lee, and Markus Kraft, Sustainable Cities and Society 101, 105113, (2024).
2023
Chemical Species Ontology for Data Integration and Knowledge Discovery
Laura Pascazio, Simon D. Rihm, Ali Naseri, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Journal of Chemical Information and Modeling 63(21), 6569-6586, (2023).
Semantic 3D city interfaces - Intelligent interactions on dynamic geospatial knowledge graphs
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).
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).
Yong Ren Tan, Qiren Zhu, Yichen Zong, Maurin Salamanca, Jiawei Lai, Jethro Akroyd, Wenming Yang, and Markus Kraft, Fuel 338, 127296, (2023).
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).
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).
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).
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).
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).
Kang Pan, Mei Qi Lim, Markus Kraft, and Epaminondas Mastorakos, Geoscientific Model Development 14(7), 4509-4534, (2021).
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).
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).
Gustavo Leon, Angiras Menon, Laura Pascazio, Eric J. Bringley, Jethro Akroyd, and Markus Kraft, Proceedings of the Combustion Institute 38(1), 1449-1457, (2021).
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).
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).
Jinkui Wu, Shihui Wang, Li Zhou, Xu Ji, Yiyang Dai, Yagu Dang, and Markus Kraft, Industrial & Engineering Chemistry Research 59(42), 18991-19000, (2020).
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).
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).
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).
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).
Angiras Menon, Gustavo Leon, Jethro Akroyd, and Markus Kraft, Combustion and Flame 217, 152-174, (2020).
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).
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).
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).
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).
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).
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).
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).
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).
Dingyu Hou, Casper Lindberg, Manoel Y. Manuputty, Xiaoqing You, and Markus Kraft, Combustion and Flame 203, 56-71, (2019).
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).
Jochen Dreyer, Radomir I. Slavchov, Eric J. Rees, Jethro Akroyd, Maurin Salamanca, Sebastian Mosbach, and Markus Kraft, Applied Optics 58(10), 2662-2670, (2019).
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
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).
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).
Yuan Sheng, Maria Botero, Manoel Y. Manuputty, Markus Kraft, and Rong Xu, ACS Applied Energy Materials 1(2), 655-665, (2018).
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).
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).
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).
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).
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).
Chuan Zhang, Alessandro Romagnoli, Li Zhou, and Markus Kraft, Applied Energy 204, 1412-1421, (2017).
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).
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).
Buyu Wang, Sebastian Mosbach, Sebastian Schmutzhard, Shijin Shuai, Yaqing Huang, and Markus Kraft, Applied Energy 163, 154-166, (2016).
Maria Botero, Sebastian Mosbach, and Markus Kraft, Fuel 169, 111-119, (2016).
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).
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).
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
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).
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).
David Kittelson and Markus Kraft, Encyclopedia of Automotive Engineering, 1-23, (2015).
Maria Botero, Sebastian Mosbach, Jethro Akroyd, and Markus Kraft, Fuel 153, 31-39, (2015).
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).
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).
Radomir I. Slavchov, Journal of Chemical Physics 140, 164510, (2014).
2013
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).
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).
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).
Jan-Georg Rosenboom, Waheed Afzal, and John M. Prausnitz, Journal of Chemical Thermodynamics 47, 320-327, (2012).
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.
Shraddha Shekar, William J. Menz, Alastair J. Smith, Markus Kraft, and Wolfgang Wagner, Computers & Chemical Engineering 43, 130-147, (2012).
2011
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).
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.
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.
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
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.
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).
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).
Tim Totton, Alston J. Misquitta, and Markus Kraft, Journal of Chemical Theory and Computation 6(3), 683-695, (2010).
Andrew J. Smallbone, Amit Bhave, Andreas Braumann, Markus Kraft, Antonis Dris, and Robert M. McDavid, SAE Paper 2010-01-0152.
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).
Andreas Braumann, Markus Kraft, and Wolfgang Wagner, Journal of Computational Physics 229(20), 7672-7691, (2010).
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).
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).
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).
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).
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).
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).
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).
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.
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).
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
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).
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).
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).
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).
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).
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).
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.
NOx and N2O formation in HCCI Engines
Per Amneus, Fabian Mauss, Markus Kraft, Andreas Vressner, and Bengt Johansson, SAE Paper 2005-01-0126.
Toshiaki Kitagawa, Kousaku Tsuneyoshi, and Andrew J. Smallbone, JSAE Transactions(18ICES/029), (2005).
2004
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).
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).
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).
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).