A single-step protocol for closing experimental atom balances

Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Philippe M. Heynderickx [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2020

Schlagwörter:	Closing atom balances Accuracy Excel® data sheet

Übergeordnetes Werk:	In: MethodsX - Elsevier, 2015, 7(2020), Seite 100781-
Übergeordnetes Werk:	volume:7 ; year:2020 ; pages:100781-

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1016/j.mex.2020.100781

Katalog-ID:	DOAJ051894238

Internformat


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publishDate	2020
allfields	10.1016/j.mex.2020.100781 doi (DE-627)DOAJ051894238 (DE-599)DOAJ95c67f2f933349aeac09be8396e032ba DE-627 ger DE-627 rakwb eng Philippe M. Heynderickx verfasserin aut A single-step protocol for closing experimental atom balances 2020 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ). Closing atom balances Accuracy Excel® data sheet Science Q In MethodsX Elsevier, 2015 7(2020), Seite 100781- (DE-627)832786675 (DE-600)2830212-6 22150161 nnns volume:7 year:2020 pages:100781- https://doi.org/10.1016/j.mex.2020.100781 kostenfrei https://doaj.org/article/95c67f2f933349aeac09be8396e032ba kostenfrei http://www.sciencedirect.com/science/article/pii/S2215016120300017 kostenfrei https://doaj.org/toc/2215-0161 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 7 2020 100781-
spelling	10.1016/j.mex.2020.100781 doi (DE-627)DOAJ051894238 (DE-599)DOAJ95c67f2f933349aeac09be8396e032ba DE-627 ger DE-627 rakwb eng Philippe M. Heynderickx verfasserin aut A single-step protocol for closing experimental atom balances 2020 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ). Closing atom balances Accuracy Excel® data sheet Science Q In MethodsX Elsevier, 2015 7(2020), Seite 100781- (DE-627)832786675 (DE-600)2830212-6 22150161 nnns volume:7 year:2020 pages:100781- https://doi.org/10.1016/j.mex.2020.100781 kostenfrei https://doaj.org/article/95c67f2f933349aeac09be8396e032ba kostenfrei http://www.sciencedirect.com/science/article/pii/S2215016120300017 kostenfrei https://doaj.org/toc/2215-0161 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 7 2020 100781-
allfields_unstemmed	10.1016/j.mex.2020.100781 doi (DE-627)DOAJ051894238 (DE-599)DOAJ95c67f2f933349aeac09be8396e032ba DE-627 ger DE-627 rakwb eng Philippe M. Heynderickx verfasserin aut A single-step protocol for closing experimental atom balances 2020 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ). Closing atom balances Accuracy Excel® data sheet Science Q In MethodsX Elsevier, 2015 7(2020), Seite 100781- (DE-627)832786675 (DE-600)2830212-6 22150161 nnns volume:7 year:2020 pages:100781- https://doi.org/10.1016/j.mex.2020.100781 kostenfrei https://doaj.org/article/95c67f2f933349aeac09be8396e032ba kostenfrei http://www.sciencedirect.com/science/article/pii/S2215016120300017 kostenfrei https://doaj.org/toc/2215-0161 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 7 2020 100781-
allfieldsGer	10.1016/j.mex.2020.100781 doi (DE-627)DOAJ051894238 (DE-599)DOAJ95c67f2f933349aeac09be8396e032ba DE-627 ger DE-627 rakwb eng Philippe M. Heynderickx verfasserin aut A single-step protocol for closing experimental atom balances 2020 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ). Closing atom balances Accuracy Excel® data sheet Science Q In MethodsX Elsevier, 2015 7(2020), Seite 100781- (DE-627)832786675 (DE-600)2830212-6 22150161 nnns volume:7 year:2020 pages:100781- https://doi.org/10.1016/j.mex.2020.100781 kostenfrei https://doaj.org/article/95c67f2f933349aeac09be8396e032ba kostenfrei http://www.sciencedirect.com/science/article/pii/S2215016120300017 kostenfrei https://doaj.org/toc/2215-0161 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 7 2020 100781-
allfieldsSound	10.1016/j.mex.2020.100781 doi (DE-627)DOAJ051894238 (DE-599)DOAJ95c67f2f933349aeac09be8396e032ba DE-627 ger DE-627 rakwb eng Philippe M. Heynderickx verfasserin aut A single-step protocol for closing experimental atom balances 2020 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ). Closing atom balances Accuracy Excel® data sheet Science Q In MethodsX Elsevier, 2015 7(2020), Seite 100781- (DE-627)832786675 (DE-600)2830212-6 22150161 nnns volume:7 year:2020 pages:100781- https://doi.org/10.1016/j.mex.2020.100781 kostenfrei https://doaj.org/article/95c67f2f933349aeac09be8396e032ba kostenfrei http://www.sciencedirect.com/science/article/pii/S2215016120300017 kostenfrei https://doaj.org/toc/2215-0161 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 7 2020 100781-
language	English
source	In MethodsX 7(2020), Seite 100781- volume:7 year:2020 pages:100781-
sourceStr	In MethodsX 7(2020), Seite 100781- volume:7 year:2020 pages:100781-
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Closing atom balances Accuracy Excel® data sheet Science Q
isfreeaccess_bool	true
container_title	MethodsX
authorswithroles_txt_mv	Philippe M. Heynderickx @@aut@@
publishDateDaySort_date	2020-01-01T00:00:00Z
hierarchy_top_id	832786675
id	DOAJ051894238
language_de	englisch
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author	Philippe M. Heynderickx
spellingShingle	Philippe M. Heynderickx misc Closing atom balances misc Accuracy misc Excel® data sheet misc Science misc Q A single-step protocol for closing experimental atom balances
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topic_title	A single-step protocol for closing experimental atom balances Closing atom balances Accuracy Excel® data sheet
topic	misc Closing atom balances misc Accuracy misc Excel® data sheet misc Science misc Q
topic_unstemmed	misc Closing atom balances misc Accuracy misc Excel® data sheet misc Science misc Q
topic_browse	misc Closing atom balances misc Accuracy misc Excel® data sheet misc Science misc Q
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title	A single-step protocol for closing experimental atom balances
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title_full	A single-step protocol for closing experimental atom balances
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title_sort	single-step protocol for closing experimental atom balances
title_auth	A single-step protocol for closing experimental atom balances
abstract	Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ).
abstractGer	Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ).
abstract_unstemmed	Molar balances are considered to be closed if they are within 95–105%. It was shown in the companion paper “https://doi.org/10.1016/j.cej.2018.12.113; Chem. Eng. J., 361, 805–811 (2019)” that even this condition can give rise to pronounced deviations in conversion or selectivity data (Heynderickx, 2019). This manuscript offers a very simple a posteriori calculation procedure to address these deviations via simple linear algebra. The specific details of this procedure, called ‘CLOBAL’, after ‘closing the balances’, are shared (1) by showing the mathematics behind-the-scene and (2) by showing the specific programming code with an itemized guideline through the code.Key benefits of proposed procedure CLOBAL script are: • Physical quantities such as molar flow rates, concentrations or absolute number of moles are updated via a one-step linear procedure to close the corresponding atom balances; • The presented CLOBAL procedure, is executed in Excel®, which is accessible and practical for every user – no need for special license and the code is provided; and • Parameter estimation, using treated data, results in smaller confidence intervals and lower residual sum of squares (RSSQ).
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title_short	A single-step protocol for closing experimental atom balances
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A single-step protocol for closing experimental atom balances

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