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RETRACTED ARTICLE: An atomistic-based chemophysical environment for evaluating asphalt oxidation and antioxidants

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This article was retracted on 04 September 2014

Abstract

Asphalt binders in service conditions are subject to oxidative aging that involves the reactions between oxygen molecules and the component species of bulk asphalt. As a result, significant alterations can occur to the desired physical and/or mechanical properties of asphalt. A common practice to alleviate asphalt aging has been to employ different chemical additives or modifiers as antioxidants. The current state of knowledge in asphalt oxidation and antioxidant evaluation is centered on determining the degradation of asphalt physical properties, mainly the viscosity and ductility. Such practices, although meeting direct engineering needs, do not contribute to the fundamental understanding of the aging and anti-oxidation mechanisms, and thereby developing anti-aging strategies. From this standpoint, this study was initiated to study the chemical and physical bases of asphalt oxidation, as well as the anti-oxidation mechanisms of bio-based antioxidants using the coniferyl-alcohol lignin as an example. A quantum chemistry (QC) based chemophysical environment is developed, in which the various chemical reactions between asphalt component species and oxygen, as well as the incurred physical changes are studied. X-ray photoelectron spectroscopy (XPS) was used to validate the modified and unmodified asphalt models.

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Authors and Affiliations

  1. The Catholic University of America, 620 Michigan Avenue, N.E., Washington, DC, 20064, USA

    Tongyan Pan, Lu Sun & Qifeng Yu

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  1. Tongyan Pan
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  2. Lu Sun
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  3. Qifeng Yu
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Corresponding author

Correspondence to Tongyan Pan.

Additional information

Upon request of the authors, this article is retracted because substantial parts were simultaneously submitted to and published in “A first-principles based chemophysical environment for studying lignins as an asphalt antioxidant” (Pan, T.; Construction and Building Materials,Volume 36, November 2012, Pages 654-664 DOI: 10.1016/j.conbuildmat.2012.06.012).

An erratum to this article is available at http://dx.doi.org/10.1007/s00894-014-2432-0.

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Pan, T., Sun, L. & Yu, Q. RETRACTED ARTICLE: An atomistic-based chemophysical environment for evaluating asphalt oxidation and antioxidants. J Mol Model 18, 5113–5126 (2012). https://doi.org/10.1007/s00894-012-1512-2

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  • DOI: https://doi.org/10.1007/s00894-012-1512-2

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