Natural language processing models that automate programming will transform chemistry research and teaching

GM Hocky, AD White - Digital discovery, 2022 - pubs.rsc.org
Natural language processing models have emerged that can generate useable software
and automate a number of programming tasks with high fidelity. These tools have yet to …

Assessment of numerical accuracy and parallel performance of OpenFOAM and its reacting flow extension EBIdnsFoam

T Zirwes, M Sontheimer, F Zhang, A Abdelsamie… - Flow, Turbulence and …, 2023 - Springer
OpenFOAM is one of the most widely used open-source computational fluid dynamics tools
and often employed for chemical engineering applications. However, there is no systematic …

Quasi-DNS dataset of a piloted flame with inhomogeneous inlet conditions

T Zirwes, F Zhang, P Habisreuther, M Hansinger… - Flow, Turbulence and …, 2020 - Springer
A quasi-DNS of the partially premixed turbulent Sydney flame in configuration FJ200-5GP-
Lr75-57 has been conducted using detailed molecular diffusion for multi-component …

Numerical study of quenching distances for side-wall quenching using detailed diffusion and chemistry

T Zirwes, T Häber, F Zhang, H Kosaka… - Flow, Turbulence and …, 2021 - Springer
The numerical investigation of quenching distances in laminar flows is mainly concerned
with two setups: head-on quenching (HOQ) and side-wall quenching (SWQ). While most of …

Flame structure analysis and composition space modeling of thermodiffusively unstable premixed hydrogen flames—Part I: Atmospheric pressure

X Wen, T Zirwes, A Scholtissek, H Böttler, F Zhang… - Combustion and …, 2022 - Elsevier
This work focuses on flame structure analysis and composition space modeling of a
multidimensional premixed hydrogen flame transitioning from a laminar stable condition to a …

Identification of flame regimes in partially premixed combustion from a quasi-DNS dataset

T Zirwes, F Zhang, P Habisreuther, M Hansinger… - Flow, Turbulence and …, 2021 - Springer
Identifying combustion regimes in terms of premixed and non-premixed characteristics is an
important task for understanding combustion phenomena and the structure of flames. A …

Flame structure analysis and composition space modeling of thermodiffusively unstable premixed hydrogen flames—Part II: Elevated pressure

X Wen, T Zirwes, A Scholtissek, H Böttler, F Zhang… - Combustion and …, 2022 - Elsevier
This paper is a continuation of the work we carried out in Part I (Wen et al., 2021), studying
the flame structure analysis and composition space modeling of an outwardly expanding …

The role of turbulence in the characteristic velocity and length of rocket combustors

D Martinez-Sanchis, A Sternin, T Santese… - Aerospace Science and …, 2023 - Elsevier
High-fidelity direct numerical simulations are conducted to investigate combustion
performance in high-pressure methane-oxygen diffusion flames with different inlet …

Correlation of wall heat loss with quenching distance for premixed H2/Air flames during unsteady Flame-Wall interaction

J Zhu, T Zirwes, FC Zhang, ZJ Li, Y Zhang… - Chemical Engineering …, 2024 - Elsevier
Flame-wall interaction (FWI) of a laminar, premixed hydrogen/air flame perturbed by a
pulsating inflow with excitation frequency (f) is investigated using fully resolved simulations …

Near wall dynamics of premixed flames

F Zhang, T Zirwes, T Häber, H Bockhorn… - Proceedings of the …, 2021 - Elsevier
Highly-resolved numerical simulations employing detailed reaction kinetics and molecular
transport have been applied to flame-wall interaction (FWI) of laminar premixed flames. A …