Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2010 |
| Outros Autores: | , , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Institucional da UFBA |
| Texto Completo: | http://www.repositorio.ufba.br/ri/handle/ri/6052 |
Resumo: | Trabalho completo: acesso restrito, p.97–102 |
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Rebouças, Márcio das VirgensSantos, Jamile Batista dosDomingos, DanielaMassa, Ana Rosa C.G.Rebouças, Márcio das VirgensSantos, Jamile Batista dosDomingos, DanielaMassa, Ana Rosa C.G.2012-06-01T19:29:32Z2010-01-220924-2031http://www.repositorio.ufba.br/ri/handle/ri/6052v. 52, n. 1Trabalho completo: acesso restrito, p.97–102The use of near-infrared spectroscopy, combined with chemometrics methods for data treatment, has been widely used in the petrochemical industry obtaining fast and precise methods suitable for quality control. In the present work, near-infrared spectroscopy multivariate calibration models were used to predict the chemical composition of various aromatic samples through a complex series of petrochemical processes for production of aromatics such as benzene, toluene, p-xylene, o-xylene and mixed xylenes. The models were developed aiming at predicting non-aromatic and aromatic content in quite different streams from the catalytic reforming unit to the final o-xylene and p-xylene plants. Non-aromatics, benzene, toluene, ethyl benzene, m-xylene, o-xylene, p-xylene, cumene, total C8's aromatics and total C9's aromatics were estimated from FT-NIR spectra in the 2130–2500 nm (4600–4000 cm−1) region. Principal component analysis was used for exploratory data analysis and cross-validated one-block partial least-squares models were employed for calibration based on ca. 200 real samples. Root mean square errors of prediction (RMSEP) of the 7–11 PLS factor models were close to the measured repeatability values of the reference method. The accuracy of each model, in terms of deviation from the primary method results, was also confirmed. Therefore, it has been demonstrated the feasibility of performing a complete chemical composition analysis required for quality control of several units through aromatics production processes from NIR prediction. The procedure, based on a single NIR spectrum, provided a quite simple and fast analysis and was able to differentiate between spectroscopic features of aromatic isomers such as p-xylene, m-xylene and o-xylene.Submitted by Bruna Lessa (lessbruna@gmail.com) on 2012-06-01T19:29:32Z No. of bitstreams: 1 (50)1-s2.0-S092420310900099X-main.pdf: 606322 bytes, checksum: cddbd7e5cf176af3c575f3166c6fb853 (MD5)Made available in DSpace on 2012-06-01T19:29:32Z (GMT). No. of bitstreams: 1 (50)1-s2.0-S092420310900099X-main.pdf: 606322 bytes, checksum: cddbd7e5cf176af3c575f3166c6fb853 (MD5) Previous issue date: 2010-01-22Elsevierhttp://dx.doi.org/10.1016/j.vibspec.2009.09.006reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBANIRPLSAromaticsNon-aromaticsp-XyleneHydrocarbonsNear-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics productionVibrational Spectroscopyinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01enginfo:eu-repo/semantics/openAccessORIGINAL(50)1-s2.0-S092420310900099X-main.pdf(50)1-s2.0-S092420310900099X-main.pdfapplication/pdf606322https://repositorio.ufba.br/bitstream/ri/6052/1/%2850%291-s2.0-S092420310900099X-main.pdfcddbd7e5cf176af3c575f3166c6fb853MD51LICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/6052/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52TEXT(50)1-s2.0-S092420310900099X-main.pdf.txt(50)1-s2.0-S092420310900099X-main.pdf.txtExtracted texttext/plain28420https://repositorio.ufba.br/bitstream/ri/6052/3/%2850%291-s2.0-S092420310900099X-main.pdf.txt30f7b02200028f15ca71a074a1b55211MD53ri/60522022-07-05 14:03:12.604oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:12Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false |
| dc.title.pt_BR.fl_str_mv |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production |
| dc.title.alternative.pt_BR.fl_str_mv |
Vibrational Spectroscopy |
| title |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production |
| spellingShingle |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production Rebouças, Márcio das Virgens NIR PLS Aromatics Non-aromatics p-Xylene Hydrocarbons |
| title_short |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production |
| title_full |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production |
| title_fullStr |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production |
| title_full_unstemmed |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production |
| title_sort |
Near-infrared spectroscopic prediction of chemical composition of a series of petrochemical process streams for aromatics production |
| author |
Rebouças, Márcio das Virgens |
| author_facet |
Rebouças, Márcio das Virgens Santos, Jamile Batista dos Domingos, Daniela Massa, Ana Rosa C.G. |
| author_role |
author |
| author2 |
Santos, Jamile Batista dos Domingos, Daniela Massa, Ana Rosa C.G. |
| author2_role |
author author author |
| dc.contributor.author.fl_str_mv |
Rebouças, Márcio das Virgens Santos, Jamile Batista dos Domingos, Daniela Massa, Ana Rosa C.G. Rebouças, Márcio das Virgens Santos, Jamile Batista dos Domingos, Daniela Massa, Ana Rosa C.G. |
| dc.subject.por.fl_str_mv |
NIR PLS Aromatics Non-aromatics p-Xylene Hydrocarbons |
| topic |
NIR PLS Aromatics Non-aromatics p-Xylene Hydrocarbons |
| description |
Trabalho completo: acesso restrito, p.97–102 |
| publishDate |
2010 |
| dc.date.issued.fl_str_mv |
2010-01-22 |
| dc.date.accessioned.fl_str_mv |
2012-06-01T19:29:32Z |
| dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/article |
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article |
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publishedVersion |
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http://www.repositorio.ufba.br/ri/handle/ri/6052 |
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0924-2031 |
| dc.identifier.number.pt_BR.fl_str_mv |
v. 52, n. 1 |
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0924-2031 v. 52, n. 1 |
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http://www.repositorio.ufba.br/ri/handle/ri/6052 |
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eng |
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info:eu-repo/semantics/openAccess |
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openAccess |
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Elsevier |
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Elsevier |
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http://dx.doi.org/10.1016/j.vibspec.2009.09.006 |
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reponame:Repositório Institucional da UFBA instname:Universidade Federal da Bahia (UFBA) instacron:UFBA |
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