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:: Volume 19, Issue 5 (12-2017) ::
J Shahrekord Univ Med Sci 2017, 19(5): 60-70 Back to browse issues page
Investigation of PCB removal by single walled carbon nanotube (0, 14)
Abbas Khodabakhshi , Ali Kazemi Babaheidari , Seyed Esmaeil Mousavi
Environment Health Engineering Dept., Shahrekord University of Medical Sciences, Shahrekord, I.R. Iran , khodabakhshi16@gmail.com
Abstract:   (1318 Views)
Background and aims: High heat capacity and low reactivity of polychlorinated biphenyls (PCBs) are two main factors which have had a pivotal role in their longevity in the environment since several decades ago. Accumulation of these pollutants in animal tissues leads to mutations and exposure to them accelerates the prevalence of chronic disorders. During the recent years, removal of PCBs from natural ecosystems has been considered as one of the controversially environmental challenges. This study is supposed t5gj investigate the capability of a specific kind of carbon nanotubes for detection and degradation of a hazardous type of PCBs.
Methods: The study investigates the possibility of PCB-153 removal by using computational nanotechnology. To shoot this target, this theoretical study has simulated and calculated the absorption and degradation of PCB-153 through interaction with the wall of zigzag (0, 14) single-walled carbon nanotube over two six-step processes. The first six-step includes the decomposition of the pollutant into an intermediate species (1,2,4- Trichlorobenzene). In the second six-step, the breakdown of the intermediate to the final products (1,2-dichloropropane and 1-chloropropane) has been calculated.
Results: During the interactions, the total energy, Gibbs free energy, binding energy, and enthalpy show a considerable decrease in the phase transition. Moreover, nuclear energy and bipolar moment show a significant increase in the phase transition. Additionally, when adsorbing and decomposing PCB-153, the conductivity of the nanotube surges markedly.
Conclusion: The thermodynamic parameters obtained from the interactions demonstrate that the absorption and degradation of PCB-153 using the zigzag (0, 14) single-walled carbon nanotube can be done spontaneously. In fact, this nanotube could be a suitable tool for detection and breakdown of the pollutant.
Keywords: Singe walled carbon nanotube, Polychlorinated biphenyl, MNDO method, Density function theory.
Full-Text [PDF 1123 kb]   (349 Downloads)    
Type of Study: Research | Subject: environmental health
Received: 2015/07/1 | Accepted: 2017/01/22 | Published: 2017/12/3
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Khodabakhshi A, Kazemi Babaheidari A, Mousavi S E. Investigation of PCB removal by single walled carbon nanotube (0, 14). J Shahrekord Univ Med Sci. 2017; 19 (5) :60-70
URL: http://journal.skums.ac.ir/article-1-2501-en.html


Volume 19, Issue 5 (12-2017) Back to browse issues page
مجله دانشگاه علوم پزشکی شهرکرد Journal of Shahrekord University of Medical Sciences
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