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Understanding Phenomena by Building Models: Methodological Studies on Physical Chemistry

  • Martin CarrierEmail author
  • Armin Gölzhäuser
  • Katharina Kohse-Höinghaus
Conference paper

Abstract

We seek to elucidate the explanatory and exploratory roles of models in physical chemistry. Models are mostly understood as cognitive instruments supposed to account for a restricted range of data. We elaborate general dimensions of model-building in this first section and distinguish between model-building by enriching and reducing a nomological core. We focus on intermediate and idealized models. Intermediate models incorporate basic principles of physics, but their more detailed results are shaped by additional suppositions. Idealization involves the reduction of the nomological core of models. Models can also be used for exploratory purposes. Cognitive models are heuristically useful because they serve to evaluate quantities inaccessible otherwise. In a similar vein, we examine the exploratory use of concrete realizations or analog models in studying problems from surface science. Our general claim is that considering the two dimensions of model-building, that is, enriching and reducing the nomological core, is suited and sufficient to account for the explanatory power and the exploratory fruitfulness of models in physical chemistry. This suitability depends on the possibility of constructing modular or non-holistic models. Such models are distinguished by the context-independent impact of specific assumptions on the model outcome. In holistic models, one and the same assumption may produce quite distinct empirical consequences in different model environments. The features we highlight are supposed to be generalizable to model-building in the physical sciences.

Keywords

Model-building Explanation Heuristics Physical chemistry Surface science 

Notes

Acknowledgements

The authors wish to thank Hai Wang (Stanford University) for his most helpful critical reading of the manuscript.

References

  1. Adkins, E. M., Giaccai, J. A., & Miller, J. H. (2017). Computed electronic structure of polynuclear aromatic hydrocarbon agglomerates. Proceedings of the Combustion Institute, 36, 957–964.CrossRefGoogle Scholar
  2. Battin-Leclerc, F., Herbinet, O., Glaude, P. A., Fournet, R., Zhou, Z., Deng, L., et al. (2010). Experimental confirmation of the low-temperature oxidation scheme of alkanes. Angewandte Chemie International Edition, 49, 3169–3172.CrossRefGoogle Scholar
  3. Betrancourt, C., Liu, F., Desgroux, P., Mercier, X., Facinetto, A., Salamanca, M., et al. (2017). Investigation of the size of the incandescent incipient soot particles in premixed sooting and nucleation flames of n-butane using LII, HIM, and 1-nm SMPS. Aerosol Science and Technology, 51, 916–935. Google Scholar
  4. Bod, R. (2006). Towards a general model of applying science. International Studies in the Philosophy of Science, 20, 5–25.CrossRefGoogle Scholar
  5. Botero, M. L., Adkins, E. M., González-Calera, S., Miller, H., & Kraft, M. (2016). PAH structure analysis of soot in a non-premixed flame using high-resolution transmission electron microscopy and optical band gap analysis. Combustion and Flame, 164, 250–258.CrossRefGoogle Scholar
  6. Carrier, M. (2004). Knowledge gain and practical use: Models in pure and applied research. In D. Gillies (Ed.), Laws and Models in Science (pp. 1–17). London: King’s College Publications.Google Scholar
  7. Carrier, M. (2009). Theories for use: On the bearing of basic science on practical problems. In M. Suárez et al. (Eds.), EPSA Epistemology and Methodology of Science: Launch of the European Philosophy of Science Association (pp. 23–34). Dordrecht: Springer.CrossRefGoogle Scholar
  8. Corma, A., Iborra, S., & Velty, A. (2007). Chemical routes for the transformation of biomass into chemicals. Chemical Reviews, 107, 2411–2502.CrossRefGoogle Scholar
  9. Egolfopoulos, F. N., Hansen, N., Ju, Y., Kohse-Höinghaus, K., Law, C. K., & Qi, F. (2014). Advances and challenges in laminar flame experiments and implications for combustion chemistry. Progress in Energy and Combustion Science, 43, 36–67.CrossRefGoogle Scholar
  10. Ertl, G. (1980). Surface science and catalysis—Studies on the mechanism of ammonia synthesis: The P.H. Emmett Award Address. Catalyses Reviews. Science and Engineering, 21, 201–203.CrossRefGoogle Scholar
  11. Ertl, G. (2007). Reactions at surfaces: From atoms to complexity. Noble Prize Lecture in Chemistry 2007. https://www.nobelprize.org/nobel_prizes/chemistry/laureates/2007/ertl-lecture.html.
  12. Gelfert, A. (2016). How to Do Science with Models. A Philosophical Primer. Berlin: Springer.Google Scholar
  13. Grotheer, H.-H., Wolf, K., & Hofmann, K. (2011). Photoionization mass spectrometry for the investigation of combustion generated nanoparticles and their relation to laser induced incandescence. Applied Physics B, 104, 367–383.CrossRefGoogle Scholar
  14. Hanson, R. K. (2011). Application of quantitative laser sensors to kinetics, propulsion and practical energy systems. Proceedings of the Combustion Institute, 33, 1–40.CrossRefGoogle Scholar
  15. Kelesides, G. A., Goudeli, E., & Pratsinis, S. (2017). Flame synthesis of functional nanostructured materials and devices: Surface growth and aggregation. Proceedings of the Combustion Institute, 36, 29–50.CrossRefGoogle Scholar
  16. Leitner, W., Klankermayer, J., Pischinger, S., Pitsch, H., & Kohse-Höinghaus, K. (2017). Advanced biofuels and beyond: Chemistry solutions for propulsion and production. Angewandte Chemie International Edition, 56, 5412–5452.CrossRefGoogle Scholar
  17. Lu, T., & Law, C. K. (2009). Toward accommodating realistic fuel chemistry in large-scale computations. Progress in Energy and Combustion Science, 35, 192–215.CrossRefGoogle Scholar
  18. Morrison, M. (1999). Models as autonomous agents. In Models as Mediators. Perspectives on Natural and Social Sciences, ed. M. Morgan and M. Morrison (pp. 38–65). Cambridge: Cambridge University Press.Google Scholar
  19. Morrison, M. (2008). Models as representational structures. In S. Hartmann et al. (Eds.), Nancy Cartwright’s Philosophy of Science (pp. 66–88). New York: Routledge.Google Scholar
  20. Moshammer, K., Jasper, A. W., Popolan-Vaida, D. M., Wang, Z., Bhavani Shankar, V. S., Ruwe, L., et al. (2016). Quantification of the keto-hydroperoxide (HOOCH2OCHO) and other elusive intermediates during low-temperature oxidation of dimethyl ether. The Journal of Physical Chemistry A, 120, 7890–7901.CrossRefGoogle Scholar
  21. Musculus, M. P. B., Miles, P. C., & Pickett, L. M. (2013). Conceptual models for partially premixed low-temperature diesel combustion. Progress in Energy and Combustion Science, 39, 246–283.CrossRefGoogle Scholar
  22. Napoletani, D., Panza, M., & Struppa, D. C. (2011). Agnostic science. Towards a philosophy of data analysis. Foundations of Science, 16, 1–20.CrossRefGoogle Scholar
  23. Saggese, C., Frassoldati, A., Cuoci, A., Faravelli, T., & Ranzi, E. (2013). A wide range kinetic modeling study of pyrolysis and oxidation of benzene. Combustion and Flame, 160, 1168–1190.CrossRefGoogle Scholar
  24. Saggese, C., Ferraio, S., Camacho, J., Cuoci, A., Frassoldati, A., Ranzi, E., et al. (2015). Kinetic modeling of particle size distribution of soot in a premixed burner-stabilized stagnation ethylene flame. Combustion and Flame, 162, 3356–3369.CrossRefGoogle Scholar
  25. Sarathy, S. M., Oßwald, P., Hansen, N., & Kohse-Höinghaus, K. (2014). Alcohol combustion chemistry. Progress in Energy and Combustion Science, 44, 40–102.CrossRefGoogle Scholar
  26. Sauer, A. (2004). Im Wandel der Gezeiten. Spektrum der Wissenschaft, 05(2004), 56–59.Google Scholar
  27. Schenk, M., Lieb, S., Vieker, H., Beyer, A., Gölzhäuser, A., Wang, H., et al. (2013). Imaging nanocarbon materials: Soot particles in flames are not structurally homogeneous. ChemPhysChem, 14, 3248–3254.CrossRefGoogle Scholar
  28. Schenk, M., Lieb, S., Vieker, H., Beyer, A., Gölzhäuser, A., Wang, H., et al. (2015). Morphology of nascent soot in ethylene flames. Proceedings of the Combustion Institute, 35, 1879–1886.CrossRefGoogle Scholar
  29. Skeen, S. A., Michelson, H. A., Wilson, K. R., Popolan, D. M., Violi, A., & Hansen, N. (2013). Near-threshold photoionization mass spectra of combustion-generated high-molecular-weight soot precursors. Journal of Aerosol Science, 58, 86–102.CrossRefGoogle Scholar
  30. Steen, E. J., Kang, Y., Bokinsky, G., Hu, Z., Schirmer, A., McClure, A., et al. (2010). Microbial production of fatty-acid-derived fuels and chemicals from plant biomass. Nature, 463, 559–562.CrossRefGoogle Scholar
  31. Taatjes, C. A., Hansen, N., McIlroy, A., Miller, J. A., Senosiain, J. P., Klippenstein, S. J., et al. (2005). Enols are common intermediates in hydrocarbon oxidation. Science, 308, 1887–1889.CrossRefGoogle Scholar
  32. Torero, J. L. (2013). Scaling-up fire. Proceedings of the Combustion Institute, 34, 99–124.CrossRefGoogle Scholar
  33. Totton, T. S., Chakrabarty, D., Misquitta, A. J., Sander, M., Wales, D. J., & Kraft, M. (2010). Modeling the internal structure of nascent soot particles. Combustion and Flame, 157, 909–914.CrossRefGoogle Scholar
  34. Wang, H. (2011). Formation of nascent soot and other condensed-phase materials in flames. Proceedings of the Combustion Institute, 33, 41–67.CrossRefGoogle Scholar
  35. Weisberg, M. (2013). Simulation and Similarity. Using Models to Understand the World. Oxford: Oxford University Press.CrossRefGoogle Scholar
  36. Zabeti, S., Drakon, A., Faust, S., Dreier, T., Welz, O., Fikri, M., et al. (2015). Temporally and spectrally resolved UV absorption and laser-induced fluorescence measurements during the pyrolysis of toluene behind reflected shock waves. Applied Physics B, 118, 295–307.CrossRefGoogle Scholar
  37. Zádor, J., Taatjes, C. A., & Fernandes, R. X. (2011). Kinetics of elementary reactions in low-temperature autoignition chemistry. Progress in Energy and Combustion Science, 37, 371–421.CrossRefGoogle Scholar

Copyright information

© Springer International Publishing AG 2018

Authors and Affiliations

  • Martin Carrier
    • 1
    Email author
  • Armin Gölzhäuser
    • 1
  • Katharina Kohse-Höinghaus
    • 1
  1. 1.Departments of Philosophy, Physics, and ChemistryBielefeld UniversityBielefeldGermany

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