Book of Abstracts 2025

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Book of Abstracts MODEGAT VIII

 

Presentations 2025

presentations will be uploaded asap

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Invited presentations

in chronological order as listed in the program overview

Monday, September 2022, 2025

Plenary: Technical Challenges and Modelling Strategies for NOx Reduction over Selective Catalytic Reduction Catalysts  

K. Kamasamudram – Cummins Inc., Columbus/Indiana, USA

Keynote: Solving Advanced Combustion Challenges with DETCHEM Tools

A. L. Tonkovich – Toncomo LLC, Gilbert/Arizona, USA

Evening lecture: Climate Research: What can we learn from earth’s climate history for the future

R. Loschek – Chronos Management Consulting, Cologne, Germany

 

Tuesday, September 23, 2025

Plenary: The Challenges with Three-way Catalysts in Strong Hybrid Systems for Passenger Cars

J. Kusaka – Waseda University, Tokyo, Japan

Keynote: Efficient model generation using neural networks with embedded Physics/Chemistry prior knowledge

M. Votsmeier – Umicore AG & Co. KG, Hanau, Germany

Plenary: A multiscale and multi-technique approach to Selective Catalytic Reduction (SCR) of NOx

M. Maestri – Politecnico di Milano, Milano, Italy

 

 

Oral presentations

in chronological order as listed in the program overview

Title, Authors (1: first/presenting author, asterisk*: corresponding author)

Sites transformation in Cu/SSZ-13 catalyst under mild hydrothermal aging and its impact on oxidation reactions and sulfur poisoning

T. Zheleznyak1, P. Kočí*, A. Shoronika, W. Epling

Unravelling the kinetics of Cu-CHA catalysts in driving conditions: a multi-mechanism SCR concept

R. Uglietti1, R. Bono, C. Shuyue, A. Widd, M. Votsmeier*

Towards Improved SCR catalyst models: A framework for NH3 adsorption, mass transfer, and redox dynamics

A.F. Suarez-Corredor1*, M.U. Bäbbler, L. Olsson, M. Skoglundh, B. Westerberg

Modelling the combined HCHO/SCR reaction on V2O5/WO3/TiO2 catalyst in lean gas engine exhaust

C. Hahn1,*, S. Kureti

Greenhouse gas reduction potential of NH3 engines with tailored exhaust gas aftertreatment

G. Koltsakis1,*, G. Voniati, A. Dimaratos, L. Ntziachristos

Simulation and design of emission catalysts for marine applications with green hydrogen, ammonia, methanol and methane and diesel fuels

T. Maunula1,*, J. Nemec, A. Kakoee, J. Hyvönen, M. Mikulski

Model-Based Screening of Honeycomb Sorbents for Carbon Capture

M. A. Sokolov1, K. Khodosevich*, R. Mennitto, T. Boger

Computational optimization of TWC performance for pollutant control under transient conditions in an MD-SI engine fuelled with LPG

B. Conde1,*, A. Ibraimova, V. Bermúdez, S. Ruiz, L. Ntziachristos, G. Koltsakis

Neural Network-Based Surrogate Modelling of Diesel Oxidation Catalyst

P. Ferreri1,*, F. Aglietti, F. Sapio, G. Melchionna

Leveraging Optimization Algorithms and Surrogate Modeling to Understand Methane Oxidation Kinetics

R. Chacko1, K. Keller, M. Götz, P. Lott, S. Angeli*

Spatially and temporally resolved analysis of UWS decomposition inside an SCR catalyst

L. Nordhausen1, L. Schuhmann, M. Bonarens, G.Goet, S. Wagner, M. Börnhorst*

Experimental and Numerical Investigation of UWS Film Formation in a Generic SCR Channel

R. Lange1, M. Bonarens, L. Schuhmann, S. Wagner, C. Hasse*

Emission simulation: a fast tool for designing hydrogen engine aftertreatment systems

M. Werner1,*, H. Többen

An Analytic Model for Wall-Flow Particulate Filters Valid for Symmetric and Asymmetric Filters and Accounting for Compressible Flow

T. C. Watling1,*, I.D. Rees

Pore-scale simulation study of diffusion-limited conversion of gas pollutants in soot-loaded catalytic filters

O. Studeník1, M. Plachá, R. Knopp, M. Isoz, P Kočí*

 

 

Poster presentations

(in alphabetical order of first/presenting author’s last name)

Title, Authors (1: first author, 2: presenting author, asterisk*: corresponding author)

Numerical Study on the Effect of Flow and Temperature Uniformity on De-NOx Performance in Marine SCR Systems

G. R. Baek1,2, H. Im, J. Koo, H. Roh, J., M. Woo*

Zeolite-based catalyst formulations for H2-SCR

F. M. Bauer2, M. Borchers1, D. Hodonj, O. Deutschmann, P. Lott*

CFD model of planar solid oxide fuel cell

L. Bednář1,2, T. Hlavaty, P. Kočí*

Modeling the Transient Selective Catalytic Reduction by Physics Embedded Neural Networks

L. Biet1,2, M. Votsmeier*

Kinetic Modeling of Ammonia Oxidation Based on Multi-Scale Experimental Data

S. Davari1,2, R. Chacko, T. Häber, C. Cardenas, P. Lott, S. Angeli, O. Deutschmann*

Decoding catalyst dynamics: Reduction of NO by CO tracked by PLIF, XAS & DRIFTS

T. Häber1,2, S. Wan, S. Struzek, C. Cárdenas, A. Zimina,.F. Maurer, P. Lott, L. Caulfield, A. Nefedov, C. Wöll, R. Suntz, J.-D. Grunwaldt, O. Deutschmann*

CAD-FEM-Workflow to analyze the mechanical impact during production on the mass and heat transfer performance of Automotive Corrugated Substrates

E. Haubrichs1,2, B. van Setten, M. Haas, M. Votsmeier*

2D Lattice-Boltzman Method with Detailed Surface Chemistry

M. Hettel1,2,*, C. Kuhn, E. A. Daymo, O. Deutschmann

An Analytical Model for Optimizing Sampling Rates in Balanced SpaciMS Measurements of Monolithic Catalysts

D. Hodonj1,2, O. Deutschmann, P. Lott* 

Model-assisted design of retrofit solutions for urban fleets

A. Ibraimova1,2, A. Dimaratos*, M. Kourtelesis, A.-M. Moschovi, I. Yakoumis, N. Singh, M. Pfeifer, T. Wolf, G. Koltsakis, Z. Samaras

Beyond idealised geometries: Learning kinetics from non-ideal reactors by global reaction neural networks

T. Kircher1,2, M. Votsmeier*

Kinetics of site transformations in Pd/AEI passive NOx adsorber

P. Kočí1,2,*, R. Knopp, T. Zheleznyak, M.P. Ruggeri, D. Bounechada, A.P.E. York

Promoter Effects on the Catalytic Activity and Selectivity of Pt/TiO2 for NOx Reduction with Hydrogen

M. Maurer1,2,*, M. Casapu, J.-D. Grunwaldt

Multiscale simulation of monolith reactors

M. Meyer1,2,*, M. Kutscherauer, G. D. Wehinger

Kinetic Modelling of the NOx reduction by H2 on Pt-based catalyst

V. Patel1,2,*, S. Kureti

Influence of inhomogeneities on steady-state conversion in monolithic catalysts – Estimations by an analytical model

M. Wörner1,2,*

Structural parameters for highly active and stable Pd/CeO2-based CH4 oxidation catalysts

D. Zengel1, V. Marchuk, M. Kurt2, F. Maurer, A. Salcedo, C. Michel, D. Loffreda, M. Aouine, T. Epicier, S. Loridant, P. Vernoux, M. Casapu*, J.-D. Grunwaldt