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Development of Computational Method to Calculate Organic Pollutant Load on Nano-Material's Surface

Published on February 2013 by Madhumita Karmakar, Taruna Gupta, Krishna Pal Singh, Suchi Smita, Shailendra K Gupta
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National Seminar on Application of Artificial Intelligence in Life Sciences 2013
Foundation of Computer Science USA
NSAAILS - Number 1
February 2013
Authors: Madhumita Karmakar, Taruna Gupta, Krishna Pal Singh, Suchi Smita, Shailendra K Gupta
49002239-457f-4dbb-8658-4bdab6c94f03

Madhumita Karmakar, Taruna Gupta, Krishna Pal Singh, Suchi Smita, Shailendra K Gupta . Development of Computational Method to Calculate Organic Pollutant Load on Nano-Material's Surface. National Seminar on Application of Artificial Intelligence in Life Sciences 2013. NSAAILS, 1 (February 2013), 24-28.

@article{
author = { Madhumita Karmakar, Taruna Gupta, Krishna Pal Singh, Suchi Smita, Shailendra K Gupta },
title = { Development of Computational Method to Calculate Organic Pollutant Load on Nano-Material's Surface },
journal = { National Seminar on Application of Artificial Intelligence in Life Sciences 2013 },
issue_date = { February 2013 },
volume = { NSAAILS },
number = { 1 },
month = { February },
year = { 2013 },
issn = 0975-8887,
pages = { 24-28 },
numpages = 5,
url = { /proceedings/nsaails/number1/10381-1005/ },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Proceeding Article
%1 National Seminar on Application of Artificial Intelligence in Life Sciences 2013
%A Madhumita Karmakar
%A Taruna Gupta
%A Krishna Pal Singh
%A Suchi Smita
%A Shailendra K Gupta
%T Development of Computational Method to Calculate Organic Pollutant Load on Nano-Material's Surface
%J National Seminar on Application of Artificial Intelligence in Life Sciences 2013
%@ 0975-8887
%V NSAAILS
%N 1
%P 24-28
%D 2013
%I International Journal of Computer Applications
Abstract

Nanomaterials have been demonstrated to be very effective adsorbent for various impurities because of their large volume-to-surface area and high adsorption potential. This research elucidates the attempt of designing computational model and procedure to access the maximum possible load of endosulfan, a persistent insecticide, on graphene nanosurface. We, here, present a strategy to calculate the maximum area covered by a molecule of endosulfan based on shape and its orientation on graphene surface. We have also modified the popular Langmuir's model to calculate the maximum adsorbate load on adsorbent by including steric hindrance caused by a adsorbate molecule to others due to shape and adsorption configurations.

References
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Index Terms

Computer Science
Information Sciences

Keywords

Graphene Endosulfan Langmuir's Model Steric Hindrance