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Models

This page contains compact kinetic models produced using the Machine Learned Optimisation of Chemical Kinetics (MLOCK) coded algorithm. These models have been validated against their respective parent detailed model's calculations across a range of zero-dimensional (0-D) and one-dimensional (1-D) reactor geometries at the operating conditions denoted. For full validation documentation see the reference material.

Compacted Models	Fuel	NOx	Parent Detailed Model	Validation Range	Reference
15 Node	Methane	No	NUIG18_17_C3	IDT: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5.           PSR: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5          Flame: 1- 40 atm, 473 - 573 K, phi = 0.4 - 1.5	1
19 Node	Methane	No	NUIG18_17_C3	IDT: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5.           PSR: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5          Flame: 1- 40 atm, 473 - 573 K, phi = 0.4 - 1.5	1
15 Node	Methane	No	NUIGMECH1.0	IDT: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5.           PSR: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5          Flame: 1- 40 atm, 473 - 573 K, phi = 0.4 - 1.5	2
15 Node + 3 NOx	Methane	Yes	NUIGMECH1.0	IDT: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5.           PSR: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5          Flame: 1- 40 atm, 473 - 573 K, phi = 0.4 - 1.5	3
16 Node + 3 NOx 1	Methane	Yes	NUIGMECH1.1	IDT: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5.           PSR: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5          Flame: 1- 40 atm, 473 - 573 K, phi = 0.4 - 1.5	3
17 Node + 3 NOx 2	Methane	Yes	NUIGMECH1.2	IDT: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5.           PSR: 1- 40 atm, 1100 - 2000 K, phi = 0.4 - 1.5          Flame: 1- 40 atm, 473 - 573 K, phi = 0.4 - 1.5	3

References:
[1]. Kelly M, Fortune M, Bourque G, Dooley S. Toward Development of Machine Learned Techniques for
Production of Compact Kinetic Models arXiv preprint arXiv:220208021. 2022.

[2]. Kelly M, Dooley S, Bourque G. Toward Machine Learned Highly Reduced Kinetic Models for Methane/Air
Combustion. ASME Turbo Expo 2021: Turbomachinery Technical Conference and Exposition 2021.

[3]. Kelly M, Dunne H, Dooley S, Bourque G. T Low-Dimensional High-Fidelity Kinetic Models for NOX Formation by a Compute Intensification Method . preprint arXiv:2202.10194. 2022.

[4]. Curran H. Personal Communication henry.curran@nuigalway.ie. 2018.

[5]. Baigmohammadi M, Patel V, Martinez S, Panigrahy S, Ramalingam A, Burke U, et al. A Comprehensive Experimental and Simulation Study of Ignition Delay Time Characteristics of Single Fuel C1–C2 Hydrocarbons over a Wide Range of Temperatures, Pressures, Equivalence Ratios, and Dilutions. Energy & Fuels. 2020;34:3755-71