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Computational Aspects: Self-clean Coatings, Plastics and Polymers in Coatings

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Coating Materials

Part of the book series: Materials Horizons: From Nature to Nanomaterials ((MHFNN))

Abstract

Computational techniques have widely been used as a powerful tool in different sectors of polymeric coatings to predict several targeted and performance properties. Articles employing different computational methods in different coatings such as self-clean, fire-retardant, anti-icing, and anti-corrosion have been discussed in this chapter. We discuss how computational chemistry has helped in discovering novel coating materials and present an overview on different simulation techniques helped to optimize and provide fundamental insights in materials behavior. This chapter may surely help the new researchers to gain deeper insights about the capabilities of MD simulations employed in different sectors of coatings.

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Acknowledgements

Author “Akarsh Verma” is grateful to the monetary support provided by the University of Petroleum and Energy Studies (UPES)-SEED Grant program.

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Authors and Affiliations

  1. Department of Polymer and Process Engineering, Indian Institute of Technology Roorkee, Saharanpur, 247001, India

    Hariome Sharan Gupta & Uday Shankar

  2. Department of Mechanical Engineering, University of Petroleum and Energy Studies, Dehradun, 248007, India

    Akarsh Verma

  3. Department of Mechanical Science and Bioengineering, Osaka University, Osaka, 560-8531, Japan

    Akarsh Verma

  4. Department of Chemistry, Imperial College London, London, SW7 2BX, UK

    Rupam Gogoi

  5. Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology, Bombay, India

    Sushanta K. Sethi

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  1. Hariome Sharan Gupta
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  2. Uday Shankar
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  3. Akarsh Verma
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  4. Rupam Gogoi
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  5. Sushanta K. Sethi
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Correspondence to Sushanta K. Sethi .

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Editors and Affiliations

  1. Department of Mechanical Engineering, University of Petroleum and Energy Studies, Dehradun, India

    Akarsh Verma

  2. Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai, India

    Sushanta K. Sethi

  3. Department of Mechanical Science and Bioengineering, Osaka University, Osaka, Japan

    Shigenobu Ogata

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Gupta, H.S., Shankar, U., Verma, A., Gogoi, R., Sethi, S.K. (2023). Computational Aspects: Self-clean Coatings, Plastics and Polymers in Coatings. In: Verma, A., Sethi, S.K., Ogata, S. (eds) Coating Materials. Materials Horizons: From Nature to Nanomaterials. Springer, Singapore. https://doi.org/10.1007/978-981-99-3549-9_8

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