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Implementation of a Simulation Model of the Controlled Release of Molecular Species from Halloysite Nanotubes

Journal of Encapsulation and Adsorption Sciences 2015年第1期5卷 74-92页

作者： divya narayan elumalai Yuri Lvov Pedro Derosa Institute for Micromanufacturing Louisiana Tech University Ruston LA USA Department of Physics Grambling State University Grambling LA USA

In this work a three-dimensional, time-quantified Monte Carlo model that efficiently describes diffusion through and from nanotubes is implemented. Controlled delivery from Halloysite Nano-tubes (HNT) is modeled based on interactions between the HNT’s inner wall and the nanoparticles (NPs) and among NPs themselves. The model was validated using published experimental data. The validated model is then used to study the effect of multiples parameter like HNT diameter and length, particle charge, and ambient temperature on the release of encapsulated NPs. The results show that release profiles depend on the size distribution of the HNT batch used for the experiment, as delivery is sensitive to HNT lumen and length. A very good agreement with the experiment is observed when a weighted average release profile is compared to the experimental profile. Although the NP dynamics is temperature-dependent, the effect is minimum within the range of temperatures relevant to biomedical applications, but will be relevant for other applications at temperatures significantly different from room temperature. This model can be used to predict the best conditions for a particular delivery need.

关键词： Diffusion Controlled Release Halloysite Nanotubes Montecarlo Sustained Release

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Comparative investigation of coal-and oil-fired boilers based on emission factors,ozone and secondary organic aerosol formation potentials of VOCs

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Journal of Environmental Sciences 2020年第6期32卷 245-255页

作者： Hsi-Hsien Yang Sunil Kumar Gupta narayan Babu Dhital Lin-Chi Wang Suresh Pandian elumalai Department of Environmental Engineering and Management Chaoyang University of TechnologyTaichungChinese Taipei Department of Applied Chemistry Chaoyang University of TechnologyTaichungChinese Taipei Department of Environmental Science Patan Multiple CampusTribhuvan UniversityLalitpurNepal Department of Environmental Engineering Chung Yuan Christian UniversityTaoyuanChinese Taipei Department of Environmental Science and Engineering Indian Institute of Technology(Indian School of Mines)DhanbadIndia

Volatile organic compounds(VOCs)are the important precursors of the tropospheric ozone(O3)and secondary organic aerosols(SOA),both of which are known to harm human health and disrupt the earth’s climate *** this study,VOC emission factors,O3 and SOA formation potentials were estimated for two types of industrial boilers:coal-fired boilers(n=3)and oil-fired boilers(n=3).Results showed that EVOCs concentrations were more than nine times higher for oil-fire d boilers compared to those for coal-fired *** factors ofΣVOCs were found to be higher for oil-fired boilers(9.26-32.83 mg-VOC/kg)than for coal-fired boilers(1.57-4.13 mg-VOC/kg).Alkanes and aromatics were obtained as the most abundant groups in coal-fired boilers,while oxygenated organics and aromatics were the most contributing groups in oil-fired ***,n-hexane and o-ethyl toluene were the abundant VOC species in coal-fired boiler emissions,whereas toluene was the most abundant VOC species emitted from oil-fired boilers.O3 and SOA formation potentials were found 12 and 18 times,respectively,higher for oil-fired than for coal-fired *** OFP ranged from 3.99 to 11.39 mg-O3/kg for coal-fired *** oil-fired boilers,total OFP ranged from 36.16 to 131.93 mg-O3/***,total secondary organic aerosol potential(SOAP)ranged from 65.4 to 122.5 mg-SOA/kg and 779.9 to 2252.5 mg-SOA/kg for the coal-fired and oil-fired boilers,respectively.

关键词： Coal-and oil-fired boilers Volatile organic compounds Emission factor Ozone formation potential Secondary organic aerosol potential

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