H2-OH-Bayesian-Kinetics/CITATION.cff at main · Anfal-AR/H2-OH-Bayesian-Kinetics · GitHub

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cff-version: 1.2.0
title: >-
  Bayesian Uncertainty Quantification and Sensitivity Analysis for the
  H₂ + OH → H₂O + H Reaction: A Comprehensive Comparison of Ten Kinetic Studies
message: >-
  If you use this analysis, code, or data, please cite it using
  the metadata from this file.
type: software
authors:
  - family-names: Rababah
    given-names: Anfal
    email: Anfal0Rababah@gmail.com
    orcid: 'https://orcid.org/0009-0003-7450-8907'
identifiers:
  - type: doi
    value: 10.26434/chemrxiv-2025-rd9v8
    description: ChemRxiv DOI
repository-code: 'https://github.com/Anfal-AR/H2-OH-Bayesian-Kinetics'
url: 'https://chemrxiv.org/engage/chemrxiv/article-details/690d8165113cc7cfffaecff8'
abstract: >-
  Comprehensive Bayesian uncertainty quantification and sensitivity analysis
  for the H₂ + OH → H₂O + H reaction based on ten independent kinetic studies
  (1981-2021) spanning 200-3044 K. The analysis reveals 14.6% average uncertainty
  with minimum 5.8% at combustion temperatures. Sensitivity analysis shows
  activation energy dominates at low temperatures while temperature exponent
  becomes critical above 1500 K. Machine learning validation confirms modified
  Arrhenius expressions remain optimal. Application-specific recommendations
  are provided for atmospheric chemistry, combustion modeling, and
  high-temperature applications.
keywords:
  - Chemical kinetics
  - Bayesian analysis
  - Uncertainty quantification
  - Sensitivity analysis
  - Hydrogen combustion
  - Arrhenius equation
  - Machine learning
  - Rate constant
  - NIST database
  - Open science
license: CC-BY-4.0
version: '1.0'
date-released: '2025-01-01'
preferred-citation:
  type: article
  authors:
    - family-names: Rababah
      given-names: Anfal
      email: Anfal0Rababah@gmail.com
      orcid: 'https://orcid.org/0009-0003-7450-8907'
  title: >-
    Bayesian Uncertainty Quantification and Sensitivity Analysis for the
    H₂ + OH → H₂O + H Reaction: A Comprehensive Comparison of Ten Kinetic Studies
  year: 2025
  doi: 10.26434/chemrxiv-2025-rd9v8
  url: 'https://chemrxiv.org/engage/chemrxiv/article-details/690d8165113cc7cfffaecff8'
  journal: Zenodo