Flame temperature theory-based model for evaluation of the flammable zones of hydrocarbon-air-CO2 mixtures

Shu, Gequn; Long, Biao; Tian, Hua; Wei, Haiqiao; Liang, Xingyu

doi:10.1016/j.jhazmat.2015.03.064

Cited by 33 publications

(20 citation statements)

References 18 publications

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“…As presented in Table 1, the present results have very good coherence to those in Ref. [12], which implies that calculation of adiabatic flame temperature by CHEMKIN is feasible. Table 1.…”

Section: Calculation Of Vaftsupporting

confidence: 87%

“…The VAFT model is established at an initial pressure and temperature of 1 atm and 298 K. Building and application of the VAFT model involves a three-step procedure. The detailed procedure can refer to Ref [12].…”

Section: The Vaft Modelmentioning

confidence: 99%

“…The elementary reaction producing water H2O is easier to take place than that of CO2. Shu [12] proposed a FAFT model to calculate UFL firstly using the simple chemical kinetics.…”

Section: Upper Flammability Limitmentioning

confidence: 99%

“…The results clearly showed that predicted values of LFL with FAFT accorded with the experimental values, while those of UFL had a large error in comparison with those of LFL. Recently Shu [12,13] proposed flame temperature theory-based models using the FAFT as well for evaluation of the flammable zones of alkane-air-CO2 mixtures. Similar results that large error occurred at UFL could be obtained in that paper.…”

Section: Introductionmentioning

confidence: 99%

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A new model based on adiabatic flame temperature for evaluation of the upper flammable limit of alkane-air-CO2 mixtures

Shu

Chen

et al. 2018

Journal of Hazardous Materials

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For security issue of alkane used in Organic Rankine Cycle, a new model to evaluate the upper flammability limits for mixtures of alkanes, carbon dioxide and air has been proposed in present study. The linear relationship was found at upper flammability limits between molar fraction of diluent in alkane-CO mixture and calculated adiabatic flame temperature. The prediction ability of the variable calculated adiabatic flame temperature model that incorporated the linear relationship above is greatly better than the models that adopted the fixed calculated adiabatic flame temperature at upper flammability limit. The average relative differences between results predicted by the new model and observed values are less than 3.51% for upper flammability limit evaluation. In order to enhance persuasion of the new model, the observed values of n-butane-CO and isopentane-CO mixtures measured in this study were used to confirm the validity of the new model. The predicted results indicated that the new model possesses the capacity of practical application and can adequately provide safe non-flammable ranges for alkanes diluted with carbon dioxide.

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“…As presented in Table 1, the present results have very good coherence to those in Ref. [12], which implies that calculation of adiabatic flame temperature by CHEMKIN is feasible. Table 1.…”

Section: Calculation Of Vaftsupporting

confidence: 87%

Section: The Vaft Modelmentioning

confidence: 99%

“…The elementary reaction producing water H2O is easier to take place than that of CO2. Shu [12] proposed a FAFT model to calculate UFL firstly using the simple chemical kinetics.…”

Section: Upper Flammability Limitmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

A new model based on adiabatic flame temperature for evaluation of the upper flammable limit of alkane-air-CO2 mixtures

Shu

Chen

et al. 2018

Journal of Hazardous Materials

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“…the ignition temperature) to evaluate UFL of a hydrocarbon diluted within an inert gas. The same authors also presented a model to evaluate the flammable zones of hydrocarbon-air-CO2 mixtures based on flame temperature theory [28]. Rowley et al [8] provided a GC method that is based on the relationship between LFL, the respective enthalpies of the substance as well as air and the adiabatic flame temperature, obtaining high accuracy.…”

Section: Introductionmentioning

confidence: 99%

Group-contribution based property estimation and uncertainty analysis for flammability-related properties

Frutiger

Marcarie

Abildskov

et al. 2016

Journal of Hazardous Materials

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This study presents new group contribution (GC) models for the prediction of Lower and Upper Flammability Limits (LFL and UFL), Flash Point (FP) and Auto Ignition Temperature (AIT) of organic chemicals applying the Marrero/Gani (MG) method. Advanced methods for parameter estimation using robust regression and outlier treatment have been applied to achieve high accuracy. Furthermore, linear error propagation based on covariance matrix of estimated parameters was performed. Therefore, every estimated property value of the flammability-related properties is reported together with its corresponding 95%-confidence interval of the prediction. Compared to existing models the developed ones have a higher accuracy, are simple to apply and provide uncertainty information on the calculated prediction. The average relative error and correlation coefficient are 11.5% and 0.99 for LFL, 15.9% and 0.91 for UFL, 2.0% and 0.99 for FP as well as 6.4% and 0.76 for AIT. Moreover, the temperature-dependence of LFL property was studied. A compound specific proportionality constant (K(LFL)) between LFL and temperature is introduced and an MG GC model to estimate K(LFL) is developed. Overall the ability to predict flammability-related properties including the corresponding uncertainty of the prediction can provide important information for a qualitative and quantitative safety-related risk assessment studies.

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Experimental measurement and theoretical prediction for lower flammability limits of ternary hydrocarbon mixtures

Ning

et al. 2022

Process Safety Progress

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The present work experimentally investigated the lower flammability limits of methane-ethylene-propane-air mixtures at ambient temperature and pressure in a 20 L confined chamber. Moreover, a calculated flame temperature (CFT) modeling for predicting the lower flammability limit of multicomponent mixed combustible gas was proposed based on the law of conservation of energy. The results indicated that the relative error of Le Chatelier's law is 2.88% in the prediction of the lower flammability limit of the tested multicomponent mixed combustible medium. Also, the relative error of CFT modeling is only 1.47%, which is reduced by 48.96% and can significantly improve the prediction accuracy of the lower flammability limit of multicomponent mixtures. Furthermore, using the premixed laminar flame speed reactor, the USC 2.0 mechanism was employed to obtain the behavior of ternary hydrocarbon mixtures near the flammability limits. The sensitivity analysis showed that competition between the chain branching reaction R1 (H + O 2 ⟺ O + OH) and the chain termination reaction R12 (H + CH 3 (+M) ⟺ CH 4 (+M)) was crucial in determining the lower flammable limit.

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Flame temperature theory-based model for evaluation of the flammable zones of hydrocarbon-air-CO2 mixtures

Cited by 33 publications

References 18 publications

A new model based on adiabatic flame temperature for evaluation of the upper flammable limit of alkane-air-CO2 mixtures

A new model based on adiabatic flame temperature for evaluation of the upper flammable limit of alkane-air-CO2 mixtures

Group-contribution based property estimation and uncertainty analysis for flammability-related properties

Experimental measurement and theoretical prediction for lower flammability limits of ternary hydrocarbon mixtures

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