• The Journal of Korean Institute for Practical Engineering Education
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• v.3 no.2
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• pp.18-26
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• 2011

Computational chemistry is one of the chemistry fields that deals with the theoretical chemistry problem using computer calculations and can be described as the chemistry lab moved on computer space. In line with recent enhancement of processing capability of computers, utilization of high performance computer cannot be overemphasized in the field of computational chemistry in performing complex calculation of huge molecular structure and simulation. While they have to use commands and consoles for high performance computer to execute complex calculation of huge molecular structure and simulation, most of students in natural science and engineering, who are not experts in computer technically, are likely to be unaware of UNIX. Under the circumstances, web-based educational support system for computational chemistry is needed to enable them to practice computational chemistry, even not knowing UNIX command. In this study, e-Chem, one of such educational support systems, is developed by using Liferay portal platform, which is a Java open source more oriented to standard and outstanding in its content management and collaboration function than other web portals. By using this system, even students who are not familiar with computer, are expected to take part in lab classes and save time learning Unix command and also enhance the learning efficiency by using familiar interface.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.29 no.6B
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• pp.551-560
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• 2009

This paper describes a newly developed pollutant transport model named ARPTM which was designed to simulate the transport and characteristics of pollutant materials after an accidental spill in upstream of river system up to a given position in the downstream. In particular, the ARPTM incorporated ADCP data to compute longitudinal dispersion coefficient and advection velocity which are necessary to apply one-dimensional advection-dispersion equation. ARPTM was built on top of the geographic information system platforms to take advantage of the technology's capabilities to track geo-referenced processes and visualize the simulated results in conjunction with associated geographic layers such as digital maps. The ARPTM computes travel distance, time, and concentration of the pollutant cloud in the given flow path from the river network, after quickly finding path between the spill of the pollutant material and any concerned points in the downstream. ARPTM is closely connected with a recently developed GIS-based Arc River database that stores inputs and outputs of ARPTM. ARPTM thereby assembles measurements, modeling, and cyberinfrastructure components to create a useful cyber-tool for determining and visualizing the dynamics of the clouds of pollutants while dispersing in space and time. ARPTM is expected to be potentially used for building warning system for the transport of pollutant materials in a large basin.