FTIR/ATR Spectroscopy Analysis of COD in Wastewater Based on Combination Optimization of SG Smoothing Modes and PLS Factor
A directly rapid quantitative analysis method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy and attenuated total reflection (ATR) technology. The combination selection of Savitzky-Golay (SG) smoothing modes combined with partial leas...
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| Veröffentlicht in: | Key engineering materials 2011-01, Vol.474-476 (SUPPL.3), p.1797-1801 |
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| creator | Li, Peng Zhao Pan, Tao Ji, Qiang Han, Yun |
| description | A directly rapid quantitative analysis method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy and attenuated total reflection (ATR) technology. The combination selection of Savitzky-Golay (SG) smoothing modes combined with partial least squares (PLS) factor was applied to the model optimization here. The optimal smoothing parameters were 2nd order derivative smoothing, 6th degree polynomial and 51 smoothing points. The corresponding optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 11, 24.4 (mg/L) and 0.968 respectively, which was obviously superior to the direct PLS model without SG smoothing. This demonstrated that the combination selection of SG smoothing parameters and PLS factor can be effectively applied to the model optimization for FTIR/ATR analysis of COD in wastewater. |
| doi_str_mv | 10.4028/www.scientific.net/KEM.474-476.1797 |
| format | Article |
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The combination selection of Savitzky-Golay (SG) smoothing modes combined with partial least squares (PLS) factor was applied to the model optimization here. The optimal smoothing parameters were 2nd order derivative smoothing, 6th degree polynomial and 51 smoothing points. The corresponding optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 11, 24.4 (mg/L) and 0.968 respectively, which was obviously superior to the direct PLS model without SG smoothing. This demonstrated that the combination selection of SG smoothing parameters and PLS factor can be effectively applied to the model optimization for FTIR/ATR analysis of COD in wastewater.</description><identifier>ISSN: 1013-9826</identifier><identifier>ISSN: 1662-9795</identifier><identifier>EISSN: 1662-9795</identifier><identifier>DOI: 10.4028/www.scientific.net/KEM.474-476.1797</identifier><language>eng</language><publisher>Trans Tech Publications Ltd</publisher><subject>Crack opening displacement ; Mathematical models ; Optimization ; Oxygen demand ; Quantitative analysis ; Smoothing ; Spectroscopy ; Waste water</subject><ispartof>Key engineering materials, 2011-01, Vol.474-476 (SUPPL.3), p.1797-1801</ispartof><rights>2011 Trans Tech Publications Ltd</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c346t-c4690052077b3c0c07ad5186a6fd5317be093b18f73d53518048a8db61fe71ef3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Uhttps://www.scientific.net/Image/TitleCover/1244?width=600</thumbnail><link.rule.ids>314,780,784,27923,27924</link.rule.ids></links><search><creatorcontrib>Li, Peng Zhao</creatorcontrib><creatorcontrib>Pan, Tao</creatorcontrib><creatorcontrib>Ji, Qiang</creatorcontrib><creatorcontrib>Han, Yun</creatorcontrib><title>FTIR/ATR Spectroscopy Analysis of COD in Wastewater Based on Combination Optimization of SG Smoothing Modes and PLS Factor</title><title>Key engineering materials</title><description>A directly rapid quantitative analysis method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy and attenuated total reflection (ATR) technology. The combination selection of Savitzky-Golay (SG) smoothing modes combined with partial least squares (PLS) factor was applied to the model optimization here. The optimal smoothing parameters were 2nd order derivative smoothing, 6th degree polynomial and 51 smoothing points. The corresponding optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 11, 24.4 (mg/L) and 0.968 respectively, which was obviously superior to the direct PLS model without SG smoothing. This demonstrated that the combination selection of SG smoothing parameters and PLS factor can be effectively applied to the model optimization for FTIR/ATR analysis of COD in wastewater.</description><subject>Crack opening displacement</subject><subject>Mathematical models</subject><subject>Optimization</subject><subject>Oxygen demand</subject><subject>Quantitative analysis</subject><subject>Smoothing</subject><subject>Spectroscopy</subject><subject>Waste water</subject><issn>1013-9826</issn><issn>1662-9795</issn><issn>1662-9795</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2011</creationdate><recordtype>article</recordtype><recordid>eNqV0EFPwjAUB_DFaKKi36E3D2ajXbd2O-IENEIwgPHYdF0nJaydbQnBT28NJp49vPS99L3_4RdF9wgmGUyL4eFwSJxQUnvVKpFo6Ycv43mS0SzOKEkQLelZdIUISeOSlvl56CHCcVmk5DK6dm4LIUYFyq-ir8n6eTkcrZdg1UvhrXHC9Ecw0nx3dMoB04Jq8QiUBu_ceXngXlrwwJ1sgNGgMl2tNPcq9Iveq059nYZwtpqCVWeM3yj9AeamkQ5w3YDX2QpMuPDG3kQXLd85efv7DqK3yXhdPcWzxfS5Gs1igTPiY5GREsI8hZTWWEABKW9yVBBO2ibHiNYSlrhGRUtxmMMPzApeNDVBraRItngQ3Z1ye2s-99J51ikn5G7HtTR7x8qUYJSmZRE2q9OmCA7Oypb1VnXcHhmC7AeeBXj2B88CPAvwLMCHIuwHPqSMTynech3MxIZtzd4GUfevnG_LkJaZ</recordid><startdate>20110101</startdate><enddate>20110101</enddate><creator>Li, Peng Zhao</creator><creator>Pan, Tao</creator><creator>Ji, Qiang</creator><creator>Han, Yun</creator><general>Trans Tech Publications Ltd</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20110101</creationdate><title>FTIR/ATR Spectroscopy Analysis of COD in Wastewater Based on Combination Optimization of SG Smoothing Modes and PLS Factor</title><author>Li, Peng Zhao ; Pan, Tao ; Ji, Qiang ; Han, Yun</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c346t-c4690052077b3c0c07ad5186a6fd5317be093b18f73d53518048a8db61fe71ef3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2011</creationdate><topic>Crack opening displacement</topic><topic>Mathematical models</topic><topic>Optimization</topic><topic>Oxygen demand</topic><topic>Quantitative analysis</topic><topic>Smoothing</topic><topic>Spectroscopy</topic><topic>Waste water</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Li, Peng Zhao</creatorcontrib><creatorcontrib>Pan, Tao</creatorcontrib><creatorcontrib>Ji, Qiang</creatorcontrib><creatorcontrib>Han, Yun</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Key engineering materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, Peng Zhao</au><au>Pan, Tao</au><au>Ji, Qiang</au><au>Han, Yun</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>FTIR/ATR Spectroscopy Analysis of COD in Wastewater Based on Combination Optimization of SG Smoothing Modes and PLS Factor</atitle><jtitle>Key engineering materials</jtitle><date>2011-01-01</date><risdate>2011</risdate><volume>474-476</volume><issue>SUPPL.3</issue><spage>1797</spage><epage>1801</epage><pages>1797-1801</pages><issn>1013-9826</issn><issn>1662-9795</issn><eissn>1662-9795</eissn><abstract>A directly rapid quantitative analysis method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy and attenuated total reflection (ATR) technology. The combination selection of Savitzky-Golay (SG) smoothing modes combined with partial least squares (PLS) factor was applied to the model optimization here. The optimal smoothing parameters were 2nd order derivative smoothing, 6th degree polynomial and 51 smoothing points. The corresponding optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 11, 24.4 (mg/L) and 0.968 respectively, which was obviously superior to the direct PLS model without SG smoothing. This demonstrated that the combination selection of SG smoothing parameters and PLS factor can be effectively applied to the model optimization for FTIR/ATR analysis of COD in wastewater.</abstract><pub>Trans Tech Publications Ltd</pub><doi>10.4028/www.scientific.net/KEM.474-476.1797</doi><tpages>5</tpages></addata></record> |
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| subjects | Crack opening displacement Mathematical models Optimization Oxygen demand Quantitative analysis Smoothing Spectroscopy Waste water |
| title | FTIR/ATR Spectroscopy Analysis of COD in Wastewater Based on Combination Optimization of SG Smoothing Modes and PLS Factor |
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