Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/121353
Title: TOWARDS AN ACCURATE AND EFFICIENT METHOD FOR OBTAINING THE ENERGIES OF LARGE WATER CLUSTERS
Authors: TAN PEIYU, AMELIA
Keywords: Amelia, Tan Peiyu Amelia, Fragmentation, Water Cluster, Fragmentation of Water Cluster, Chemistry
Issue Date: 7-Apr-2015
Source: TAN PEIYU, AMELIA (2015-04-07). TOWARDS AN ACCURATE AND EFFICIENT METHOD FOR OBTAINING THE ENERGIES OF LARGE WATER CLUSTERS. ScholarBank@NUS Repository.
Abstract: The research lays the ground work necessary for the most accurate and detailed simulation of liquid bulk water ever undertaken. Water is ubiquitous on Earth and plays a pivotal role to all living systems. Its unusual and anomalous properties are what make water special in becoming less dense when it is cooled, which floats at the surface of the lake and sea, and not the bottom which is absolutely essential. This bizarre phenomenon prevents water from freezing at the bottom and hence avoids killing all organisms in it. More odd behaviour from water is observed in its particularly high boiling point for a simple tri-atomic and its very large value of dielectric constant. This large value has profound consequences in electrostatic interactions present in the proteins of living systems. Understanding these properties will help to unravel its mysteries. Different approaches and results will be discussed in fragmenting a large water cluster to obtain the total and interaction energies to accurately model bulk water. Note that this research is purely computational.
URI: http://scholarbank.nus.edu.sg/handle/10635/121353
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