Predicting both lower and upper flammability limits for fuel mixtures from molecular structures with same descriptors

2021 ◽  
Vol 155 ◽  
pp. 177-183
Author(s):  
Yuqing Ni ◽  
Yong Pan ◽  
Juncheng Jiang ◽  
Yinglei Liu ◽  
Chi-Min Shu
2020 ◽  
Vol 142 ◽  
pp. 45-55
Author(s):  
Andrés Z. Mendiburu ◽  
Christian R. Coronado ◽  
João A. de Carvalho

2009 ◽  
Vol 48 (10) ◽  
pp. 5064-5069 ◽  
Author(s):  
Yong Pan ◽  
Juncheng Jiang ◽  
Rui Wang ◽  
Hongyin Cao ◽  
Yi Cui

1989 ◽  
Vol 111 (2) ◽  
pp. 100-103
Author(s):  
I. Wierzba ◽  
G. A. Karim

The behavior of the lean and rich flammability limits of various fuel mixture combinations involving propane, n-butane, propylene and ethylene, which feature prominently in a variety of industrial and natural fuel gases such as liquefied petroleum gases (LPGs), was examined. It was found that the lean limits of such mixtures can be predicted well by using Le Chatelier’s Rule. This rule can also predict the rich flammability limits of propane-n-butane mixtures. However, its application to calculate the rich limits of mixtures such as propane-propylene, propane-ethylene, butane-ethylene, propylene-ethylene mixtures carries a significant error with certain mixtures composition. The effect of the dilution of such fuel mixtures with nitrogen or carbon dioxide was also investigated and a predictive procedure is described.


2008 ◽  
Vol 155 (3) ◽  
pp. 440-448 ◽  
Author(s):  
Shigeo Kondo ◽  
Kenji Takizawa ◽  
Akifumi Takahashi ◽  
Kazuaki Tokuhashi ◽  
Akira Sekiya

Author(s):  
Daniel Jaimes ◽  
Vincent McDonell ◽  
Scott Samuelsen

Elevated pressure and temperature conditions are widely encountered during gas turbine operation. To avoid unexpected ignition and explosion of mixtures of fuel and air under these conditions, it is imperative to identify the flammability limits of relevant fuel mixtures. Common fuels include process gases such as natural gas, coke oven gas and IGCC syngas fuel. The flammability limits of pure fuels and common gas/air mixtures have been widely reported, however a significant lack of flammability data for fuel mixtures relevant for use in gas turbines as well as data at elevated pressure and temperature conditions is available. The objective of this study is to characterize the flammability limits of fuel/air mixtures and their dependence on initial temperature and pressure. Experimental studies of lean flammability limits (LFLs) for methane, hydrogen, and carbon monoxide, in addition to mixtures of these gases (i.e. CH4/H2, H2/CO, and CH4/CO2) were performed at temperatures up to 200 °C and pressures up to 9 bar. ASTM Standard E918 (1983) provided the framework for tests using a one-liter pressure-rated test cylinder in which the fuel-air mixtures were prepared and then ignited. Flammability is determined using a 7% and 5% pressure rise criterion per the ASTM E918 and European EN 1839 standards, respectively. The LFLs for each gas and gas mixture are found to decrease linearly with increasing temperature for the temperature range tested. The LFLs of hydrogen and mixtures containing hydrogen are observed to increase with an increase in the initial pressure, whereas the LFLs of all other mixtures exhibit a negligible dependence on pressure. For mixtures, predicted LFL values obtained using Le Chatelier’s mixing rule (LC) are fairly consistent with the experimentally determined values near ambient conditions, however it is not recommended for use at elevated pressure and/or temperature. Finally, the experimental data presented in this study are compared with previous experimental studies, flammability limits calculated using numerical methods, and past studies of predicted LFL values for similar fuel/air mixtures. The purpose for characterizing the flammability limits for these gaseous mixtures is to extend the results to developing appropriate procedures for the safe industrial use of renewable gases, such as bio-derived methane, biogas composed mainly of methane and carbon dioxide, and renewably derived syngas which contains large quantities of hydrogen and carbon monoxide gas.


2020 ◽  
Vol 64 ◽  
pp. 104074 ◽  
Author(s):  
Shijing Shen ◽  
Xianke Ji ◽  
Yong Pan ◽  
Ronghua Qi ◽  
Juncheng Jiang

Molecules ◽  
2019 ◽  
Vol 24 (4) ◽  
pp. 748 ◽  
Author(s):  
Yong Pan ◽  
Xianke Ji ◽  
Li Ding ◽  
Juncheng Jiang

The lower flammability limit (LFL) is one of the most important parameters for evaluating the fire and explosion hazards of flammable gases or vapors. This study proposed quantitative structure−property relationship (QSPR) models to predict the LFL of binary hydrocarbon gases from their molecular structures. Twelve different mixing rules were employed to derive mixture descriptors for describing the structures characteristics of a series of 181 binary hydrocarbon mixtures. Genetic algorithm (GA)-based multiple linear regression (MLR) was used to select the most statistically effective mixture descriptors on the LFL of binary hydrocarbon gases. A total of 12 multilinear models were obtained based on the different mathematical formulas. The best model, issued from the norm of the molar contribution formula, was achieved as a six-parameter model. The best model was then rigorously validated using multiple strategies and further extensively compared to the previously published model. The results demonstrated the robustness, validity, and satisfactory predictivity of the proposed model. The applicability domain (AD) of the model was defined as well. The proposed best model would be expected to present an alternative to predict the LFL values of existing or new binary hydrocarbon gases, and provide some guidance for prioritizing the design of safer blended gases with desired properties.


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