• Sebastian Mosbach

Full List of Publications co-authored by Sebastian Mosbach.

Number of publications listed in category: 116

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

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 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

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).

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).

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).

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).

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).

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

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

2014

2013

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).

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).

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.

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.

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.

2010

2009

2008

2007

2006

2005