Prediction on Subcooled Liquid Vapor Pressures of PCDD/Fs
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Published:2011-10
Issue:
Volume:356-360
Page:217-222
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ISSN:1662-8985
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Container-title:Advanced Materials Research
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language:
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Short-container-title:AMR
Author:
Qiao Shu1,
Xie Kun1,
Fu Chuan1
Affiliation:
1. Chongqing Three Gorges University
Abstract
A QSPR model is established for estimating subcooled liquid vapor pressures (log PL) of PCDD/Fs. Three-dimensional holographic vector of atomic interaction field (3D-HoVAIF) is used to describe the chemical structures. The predictivity and stability of the model is also tested by leave-one-out cross-validation. Moreover, the estimated values have been presented for those PCDD/Fs which are lack of experimentally data by the optimum model.
Publisher
Trans Tech Publications, Ltd.
Subject
General Engineering