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BIO-OIL MODIFIED ASPHALT AS A NOVEL AND IMPROVED CONSTRUCTION MATERIAL & CARBON NANOTUBES FOR TARGETED ADSORPTION OF BENZOIC ACID

Arsano, Iskinder Yacob
http://rave.ohiolink.edu/etdc/view?acc_num=akron1596635907208643

Abstract Details

2020, Doctor of Philosophy, University of Akron, Polymer Science.
Molecular dynamics is a robust research tool to investigate both bulk and interfacial phenomena. The current manuscript detailed two all-atom simulation studies. The first involves a developing work on the use of linoleic acid as a bio-oil asphalt modifier. Measurements were made on glass transition temperature, molecular mobility, viscosity, and species dispersion. Important trends were identified with potential optimality at moderate additive loading percentages. Barring the challenge in bridging the large order of magnitude difference between computationally accessible and mixing plant shear rates, a technique was detailed whereby mixing and compaction temperatures can be retrieved from construction manuals. The processing temperature reduction implications of correctly characterizing the non-Newtonian flow behaviors of modified asphalt are quantitatively and qualitatively discussed. Further, the single fatty acid species study can serve as a springboard for studies that involve diverse fatty acids with comparable compositions to those that exist in bio-oils like soybean oil and corn oil. To this effect, plausible asphaltic molecular designs were forwarded. This second part of the manuscript covers different aspects of carbon nanotube (CNT) – driven adsorption. Structurally simple yet with amphiphilic properties shared by a wide range of organic contaminants, benzoic acid was chosen as a probe adsorbate molecule. Benzoic acid attained optimal packing orientation in the adsorption region – an iv effect that propagated even outside the adsorption region when there are few or no surface oxygens. By carefully accounting for the multi-way interactions in the adsorption region peculiar mass accumulation trends were observed and explained. Carboxyl-carboxyl associations born of hydrogen bonds were proposed as providing stability to the adsorbed benzoic acid on tube exteriors. These associations were found to be secondary to the dominant aromatic-aromatic interactions in dictating adsorption energy hierarchy as was experimentally observed for tannic acid. Vigorous exchange of water molecules between the adsorption region and the immediate vicinity radially outside was estimated to take place within a time scale in the order of 10 ps. Finally, grooves inside bundles of single-walled CNTs exhibited a consistently greater attractive preference to benzoic acid than the surfaces of multi-walled CNTs, agreeing with experimental trends.
Mesfin Tsige (Advisor)
Yu Zhu (Committee Chair)
Ali Dhinojwala (Committee Member)
Hunter King (Committee Member)
Jie Zheng (Committee Member)
181 p.
Materials Science; Polymer Chemistry; Polymers
asphalt simulation, targeted adsorption, single-walled carbon nanotube, molecular dynamics, carbon nanotube groove, linoleic acid, bio-oil, processibility, modified asphalt binder

Recommended Citations

Citations

  • Arsano, I. Y. (2020). BIO-OIL MODIFIED ASPHALT AS A NOVEL AND IMPROVED CONSTRUCTION MATERIAL & CARBON NANOTUBES FOR TARGETED ADSORPTION OF BENZOIC ACID [Doctoral dissertation, University of Akron]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=akron1596635907208643

    APA Style (7th edition)

  • Arsano, Iskinder. BIO-OIL MODIFIED ASPHALT AS A NOVEL AND IMPROVED CONSTRUCTION MATERIAL & CARBON NANOTUBES FOR TARGETED ADSORPTION OF BENZOIC ACID. 2020. University of Akron, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=akron1596635907208643.

    MLA Style (8th edition)

  • Arsano, Iskinder. "BIO-OIL MODIFIED ASPHALT AS A NOVEL AND IMPROVED CONSTRUCTION MATERIAL & CARBON NANOTUBES FOR TARGETED ADSORPTION OF BENZOIC ACID." Doctoral dissertation, University of Akron, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=akron1596635907208643

    Chicago Manual of Style (17th edition)

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