A Method for the Highly Accurate Quantification of Gas Streams by On-Line Chromatography

Sandoval-Bohorquez, Víctor Stivenson; Velasco-Rozo, Edwing Alexander; Medrano, Víctor Gabriel Baldovino

doi:10.26434/chemrxiv.11954820.v1

“…The specific details and the methods for quantification in the latter system are presented elsewhere. [14] 4 + 2 2 → 2 + 2 2 (Eq. 18)…”

Section: Methodsmentioning

confidence: 99%

“…Therefore, the mass of the reactants entering the reactor equals the mass of the products at its outlet. Herein, this principle is applied by means of a metric called the mass balance coefficient ( ) that relates the masses of the reactants to the masses of the products, Equation 17: [14] ∑[ − 0 ] ̅̅̅̅̅ ∑[ − 0 ] ̅̅̅̅̅ = (Eq. 17)…”

Section: Application Of Mass Balances To Improve the Accuracy Of The Quantification Of Gaseous Streams With Online Mass Spectrometrymentioning

confidence: 99%

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A Method for the Accurate Quantification of Gas Streams by On-Line Mass Spectrometry

Velasco¹,

Rueda²,

Medrano³

2021

Preprint

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0

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<p>The accuracy of the online quantification of gaseous effluents from catalytic reactors by mass spectrometry (MS) is rarely addressed by researchers, despite the extensive use of the technique. MS results are strongly sensitive to both the operation conditions of the reactor and to the state of the instrument. Therefore, most studies use them as qualitative descriptors of the performance of catalytic reaction systems. The purpose of this work was to develop an accurate method for the quantification of gaseous effluents from catalytic reactors. For this purpose, the mathematical expressions from the so-called external and internal standard calibration methods for MS were coupled to the typical metrics used for studying catalytic reactions; namely, conversion, selectivity, and carbon mass balances. The catalytic combustion of methane was selected as a model reaction to test the developed approach. The accuracy of the developed method was validated by comparison with results obtained in a separated reaction system coupled online to a gas chromatograph. The closure of the carbon mass balance was used as a control metrics allowing for the assessment of the physical meaning of the method. In general, the internal standard method of calibration was found to be best for the accurate quantification of gaseous streams by on-line mass spectrometry. In general, the results of this investigation may be of use to researchers in the field of catalysis as well as to research workers using mass spectrometry for various purposes.</p>

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“…Therefore, the mass of the reactants entering the reactor equals the mass of the products at its outlet. Herein, this principle is applied by means of a metric called the mass balance coefficient (𝜃) that relates the masses of the reactants to the masses of the products, Equation 17: [14] ∑[𝐹 𝑟 −𝐹 𝑟 0 ]𝑃𝑀 ̅̅̅̅̅ 𝑟 ∑[𝐹 𝑝 −𝐹 𝑝 0 ]𝑃𝑀 ̅̅̅̅̅ 𝑝 = 𝜃 (Eq. 17)…”

Section: Application Of Mass Balances To Improve the Accuracy Of The Quantification Of Gaseous Streams With Online Mass Spectrometrymentioning

confidence: 99%

“…Particularly, the analysis of mass balances was implemented as a control tool for checking both the accuracy and physical meaning of the developed method. This strategy has proved successful for improving the accuracy of on-line GC analysis [14] but, as far as the authors of this paper know, it had not been used as part of a method for accurately quantifying gaseous streams from catalytic systems by mass spectrometry. Herein, the catalytic combustion of methane over a continuous plug-flow bed reactor was used as a model reaction to test the accuracy of the mathematical methods developed from both the internal and the external standard methods of calibration.…”

Section: Introductionmentioning

confidence: 99%

A Method for the Accurate Quantification of Gas Streams by On-Line Mass Spectrometry

Velasco

¹

,

Rueda²,

Medrano³

2021

Preprint

Self Cite

0

View full text Add to dashboard Cite

<p>The accuracy of the online quantification of gaseous effluents from catalytic reactors by mass spectrometry (MS) is rarely addressed by researchers, despite the extensive use of the technique. MS results are strongly sensitive to both the operation conditions of the reactor and to the state of the instrument. Therefore, most studies use them as qualitative descriptors of the performance of catalytic reaction systems. The purpose of this work was to develop an accurate method for the quantification of gaseous effluents from catalytic reactors. For this purpose, the mathematical expressions from the so-called external and internal standard calibration methods for MS were coupled to the typical metrics used for studying catalytic reactions; namely, conversion, selectivity, and carbon mass balances. The catalytic combustion of methane was selected as a model reaction to test the developed approach. The accuracy of the developed method was validated by comparison with results obtained in a separated reaction system coupled online to a gas chromatograph. The closure of the carbon mass balance was used as a control metrics allowing for the assessment of the physical meaning of the method. In general, the internal standard method of calibration was found to be best for the accurate quantification of gaseous streams by on-line mass spectrometry. In general, the results of this investigation may be of use to researchers in the field of catalysis as well as to research workers using mass spectrometry for various purposes.</p>

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Accurate Concentration Measurement Model of Multicomponent Mixed Gases during a Mine Disaster Period

Li

¹

,

Wang

²

,

Zhang³

et al. 2022

ACS Omega

3

0

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A variety of gaseous products are formed when mine fires and coal and gas outbursts occur in mines. On the one hand, these gas products affect the normal production of mines and the occupational health of miners; on the other hand, the gaseous products can also provide much important information to prevent mine disasters. Thus, the rapid and accurate determination of the component content of multicomponent mixed gases is of great significance. However, the distortion of gas chromatography measurement results, which deviate from the true values, has a serious impact on gas composition determination in mines. To reduce the influence of distortion, an Agilent 490 portable gas chromatograph is used to measure the component content of 11 groups of standard multicomponent mixed gases. It is found that the error rate of the measured result is highly related to the concentration of the selected reference component and the component to be measured. Besides, the key point of each gas concentration is determined according to the scatter diagram of the error rate. Each gas is divided into a high and a low concentration group by the key points, and each gas is selected as the reference component to measure the corresponding component concentration in other gases with multiple-point external standards. Researchers have used the least-squares method to fit univariate linear regression analysis between the measured values and true values of mixed gases. Then, the optimal analysis function and the optimal reference component concentration of each gas can be determined by comparing the regression analysis parameters. Finally, it is found that the error rate of measured values corrected by the optimal analysis function is significantly reduced. It is proved that this method can effectively alleviate the measurement results’ distortion, which solves the problem of gas composition determination in underground areas.

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A Method for the Highly Accurate Quantification of Gas Streams by On-Line Chromatography

Cited by 4 publications

References 10 publications

A Method for the Accurate Quantification of Gas Streams by On-Line Mass Spectrometry

A Method for the Accurate Quantification of Gas Streams by On-Line Mass Spectrometry

A Method for the Accurate Quantification of Gas Streams by On-Line Mass Spectrometry

Accurate Concentration Measurement Model of Multicomponent Mixed Gases during a Mine Disaster Period

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