The Experts below are selected from a list of 285 Experts worldwide ranked by ideXlab platform
Farhad Gharagheizi - One of the best experts on this subject based on the ideXlab platform.
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Corresponding states method for estimation of Upper Flammability Limit temperature of chemical compounds
Industrial and engineering chemistry research, 2012Co-Authors: Farhad Gharagheizi, Poorandokht Ilani-kashkouli, Amir H MohammadiAbstract:The accuracy and predictability of predictive methods to determine the Flammability characteristics of chemical compounds are of drastic significance in the chemical industry. This work aims at continuing application of the gene expression programming (GEP) mathematical strategy to modify the existing thermophysical properties correlations available in the literature to pursue the following objectives: optimization of the number of independent parameters, amplification of the generality, and improvement of the accuracy and predictability. This work deals with presenting a simple corresponding states model to predict the Upper Flammability Limit temperature of 1462 organic compounds from 76 chemical families. The parameters of the correlation include the critical temperature and the acentric factor of the compounds. The obtained statistical parameters including average absolute relative deviation of the results from DIPPR 801 database values (1.7, 1.8, 1.7% for training, optimization, and prediction sets, respectively) demonstrate improved accuracy of the presented correlations.
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corresponding states method for estimation of Upper Flammability Limit temperature of chemical compounds
Industrial & Engineering Chemistry Research, 2012Co-Authors: Farhad Gharagheizi, Poorandokht Ilanikashkouli, Amir H MohammadiAbstract:The accuracy and predictability of predictive methods to determine the Flammability characteristics of chemical compounds are of drastic significance in the chemical industry. This work aims at continuing application of the gene expression programming (GEP) mathematical strategy to modify the existing thermophysical properties correlations available in the literature to pursue the following objectives: optimization of the number of independent parameters, amplification of the generality, and improvement of the accuracy and predictability. This work deals with presenting a simple corresponding states model to predict the Upper Flammability Limit temperature of 1462 organic compounds from 76 chemical families. The parameters of the correlation include the critical temperature and the acentric factor of the compounds. The obtained statistical parameters including average absolute relative deviation of the results from DIPPR 801 database values (1.7, 1.8, 1.7% for training, optimization, and prediction sets, ...
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Corresponding States Method for Estimation of Upper Flammability Limit Temperature of Chemical Compounds
2012Co-Authors: Farhad Gharagheizi, Poorandokht Ilani-kashkouli, Amir H MohammadiAbstract:The accuracy and predictability of predictive methods to determine the Flammability characteristics of chemical compounds are of drastic significance in the chemical industry. This work aims at continuing application of the gene expression programming (GEP) mathematical strategy to modify the existing thermophysical properties correlations available in the literature to pursue the following objectives: optimization of the number of independent parameters, amplification of the generality, and improvement of the accuracy and predictability. This work deals with presenting a simple corresponding states model to predict the Upper Flammability Limit temperature of 1462 organic compounds from 76 chemical families. The parameters of the correlation include the critical temperature and the acentric factor of the compounds. The obtained statistical parameters including average absolute relative deviation of the results from DIPPR 801 database values (1.7, 1.8, 1.7% for training, optimization, and prediction sets, respectively) demonstrate improved accuracy of the presented correlations
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chemical structure based model for estimation of the Upper Flammability Limit of pure compounds
Energy & Fuels, 2010Co-Authors: Farhad GharagheiziAbstract:In the present work, a new molecular-based model is presented for estimation of the Upper Flammability Limit (UFL) of pure compounds. The parameters of the model are the number of occurrences of a new collection of 113 functional groups. On the basis of these 113 functional groups, a feed-forward neural network is presented to estimate the UFL of pure compounds. The squared correlation coefficient, absolute percent error, standard deviation, and root-mean-square error of the model over the 867 pure compounds used for the development of the model are 0.9469, 7.07%, 0.883, 0.882, respectively. Therefore, the model is accurate and can be used to predict the UFL for a wide range of pure compounds.
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prediction of Upper Flammability Limit percent of pure compounds from their molecular structures
Journal of Hazardous Materials, 2009Co-Authors: Farhad GharagheiziAbstract:In this study, a quantitative structure-property relationship (QSPR) is presented to predict the Upper Flammability Limit percent (UFLP) of pure compounds. The obtained model is a five parameters multi-linear equation. The parameters of the model are calculated only from chemical structure. The average absolute error and squared correlation coefficient of the obtained model over all 865 pure compounds used to develop the model are 9.7%, and 0.92, respectively.
Didier Mathieu - One of the best experts on this subject based on the ideXlab platform.
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power law expressions for predicting lower and Upper Flammability Limit temperatures
Industrial & Engineering Chemistry Research, 2013Co-Authors: Didier MathieuAbstract:By analogy with recent models for flash point, the lower and Upper Flammability Limit temperatures of organic compounds are represented as power law expressions in terms of fragment contributions. The predictive value of the resulting models compares well with recently published methods. A major advantage of the present approach is the fact it provides better insight into the relationships between Flammability Limit temperatures and molecular structure.
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Power Law Expressions for Predicting Lower and Upper Flammability Limit Temperatures
2013Co-Authors: Didier MathieuAbstract:By analogy with recent models for flash point, the lower and Upper Flammability Limit temperatures of organic compounds are represented as power law expressions in terms of fragment contributions. The predictive value of the resulting models compares well with recently published methods. A major advantage of the present approach is the fact it provides better insight into the relationships between Flammability Limit temperatures and molecular structure
Amir H Mohammadi - One of the best experts on this subject based on the ideXlab platform.
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Corresponding states method for estimation of Upper Flammability Limit temperature of chemical compounds
Industrial and engineering chemistry research, 2012Co-Authors: Farhad Gharagheizi, Poorandokht Ilani-kashkouli, Amir H MohammadiAbstract:The accuracy and predictability of predictive methods to determine the Flammability characteristics of chemical compounds are of drastic significance in the chemical industry. This work aims at continuing application of the gene expression programming (GEP) mathematical strategy to modify the existing thermophysical properties correlations available in the literature to pursue the following objectives: optimization of the number of independent parameters, amplification of the generality, and improvement of the accuracy and predictability. This work deals with presenting a simple corresponding states model to predict the Upper Flammability Limit temperature of 1462 organic compounds from 76 chemical families. The parameters of the correlation include the critical temperature and the acentric factor of the compounds. The obtained statistical parameters including average absolute relative deviation of the results from DIPPR 801 database values (1.7, 1.8, 1.7% for training, optimization, and prediction sets, respectively) demonstrate improved accuracy of the presented correlations.
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corresponding states method for estimation of Upper Flammability Limit temperature of chemical compounds
Industrial & Engineering Chemistry Research, 2012Co-Authors: Farhad Gharagheizi, Poorandokht Ilanikashkouli, Amir H MohammadiAbstract:The accuracy and predictability of predictive methods to determine the Flammability characteristics of chemical compounds are of drastic significance in the chemical industry. This work aims at continuing application of the gene expression programming (GEP) mathematical strategy to modify the existing thermophysical properties correlations available in the literature to pursue the following objectives: optimization of the number of independent parameters, amplification of the generality, and improvement of the accuracy and predictability. This work deals with presenting a simple corresponding states model to predict the Upper Flammability Limit temperature of 1462 organic compounds from 76 chemical families. The parameters of the correlation include the critical temperature and the acentric factor of the compounds. The obtained statistical parameters including average absolute relative deviation of the results from DIPPR 801 database values (1.7, 1.8, 1.7% for training, optimization, and prediction sets, ...
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Corresponding States Method for Estimation of Upper Flammability Limit Temperature of Chemical Compounds
2012Co-Authors: Farhad Gharagheizi, Poorandokht Ilani-kashkouli, Amir H MohammadiAbstract:The accuracy and predictability of predictive methods to determine the Flammability characteristics of chemical compounds are of drastic significance in the chemical industry. This work aims at continuing application of the gene expression programming (GEP) mathematical strategy to modify the existing thermophysical properties correlations available in the literature to pursue the following objectives: optimization of the number of independent parameters, amplification of the generality, and improvement of the accuracy and predictability. This work deals with presenting a simple corresponding states model to predict the Upper Flammability Limit temperature of 1462 organic compounds from 76 chemical families. The parameters of the correlation include the critical temperature and the acentric factor of the compounds. The obtained statistical parameters including average absolute relative deviation of the results from DIPPR 801 database values (1.7, 1.8, 1.7% for training, optimization, and prediction sets, respectively) demonstrate improved accuracy of the presented correlations
Jan Berghmans - One of the best experts on this subject based on the ideXlab platform.
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calculation of the Upper Flammability Limit of methane air mixtures at elevated pressures and temperatures
Journal of Hazardous Materials, 2008Co-Authors: F Van Den Schoor, Filip Verplaetsen, Jan BerghmansAbstract:Four different numerical methods to calculate the Upper Flammability Limit of methane/air mixtures at initial pressures up to 10 bar and initial temperatures up to 200 degrees C are evaluated by comparison with experimental data. Planar freely propagating flames are calculated with the inclusion of a radiation heat loss term in the energy conservation equation to numerically obtain Flammability Limits. Three different reaction mechanisms are used in these calculations. At atmospheric pressure, the results of these calculations are satisfactory. At elevated pressures, however, large discrepancies are found. The spherically expanding flame calculations only show a marginal improvement compared with the planar flame calculations. On the other hand, the application of a Limiting burning velocity with a pressure dependence Su,lim approximately p(-1/2) is found to predict the pressure dependence of the Upper Flammability Limit very well, whereas the application of a constant Limiting flame temperature is found to slightly underestimate the temperature dependence of the Upper Flammability Limit.
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calculation of the Upper Flammability Limit of methane hydrogen air mixtures at elevated pressures and temperatures
International Journal of Hydrogen Energy, 2008Co-Authors: F Van Den Schoor, Filip Verplaetsen, Jan BerghmansAbstract:Abstract The results of three different numerical methods to calculate Flammability Limits—namely (1) the calculation of planar flames with the inclusion of a (radiation) heat loss term in the energy conservation equation, and the application of (2) a Limiting burning velocity and of (3) a Limiting flame temperature—are compared with experimental data on the Upper Flammability Limit (UFL) of methane/hydrogen/air mixtures with hydrogen fuel molar fractions of 20% and 40%, at initial pressures up to 10 bar and initial temperatures up to 200 °C. The application of a Limiting burning velocity is found to predict the pressure dependence of the UFL well, while the application of a Limiting flame temperature generally is found to slightly underestimate the temperature dependence of the UFL.
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experimental study of the pressure and temperature dependence on the Upper Flammability Limit of methane air mixtures
Journal of Hazardous Materials, 1997Co-Authors: B Vanderstraeten, Jan Berghmans, D Tuerlinckx, S Vliegen, E Van T Oost, B SmitAbstract:The Flammability Limits of methane/air mixtures are investigated experimentally at pressures up to 5500 kPa and temperatures up to 200°C. Two different criteria based on the maximum explosion pressure are used to define the Flammability Limit, the tangent criterion and the min-max criterion. It is shown that the min-max criterion should be used to determine the Upper Flammability Limit (UFL), because the tangent criterion underestimates the UFL at initial pressures higher than ambient. In the pressure-temperature range tested second order pressure dependences and linear temperature dependences of the UFL are found. The temperature dependence of the UFL is influenced by the initial pressure which is in contrast with previous findings.
P F Nolan - One of the best experts on this subject based on the ideXlab platform.
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modelling the effect of water fog on the Upper Flammability Limit of hydrogen oxygen nitrogen mixtures
International Journal of Hydrogen Energy, 2013Co-Authors: P G Holborn, P Battersby, J M Ingram, A F Averill, P F NolanAbstract:Abstract Nitrogen dilution and very fine water mist fogs have both been suggested as possible methods of controlling flammable hydrogen–air mixtures by modifying the Flammability Limits to prevent ignition. A simplified theoretical model, based upon the inhibition parameter concept, is developed allowing the effect of nitrogen dilution and very fine water fog upon the Upper Flammability Limit (UFL) of hydrogen–oxygen–nitrogen mixtures to be predicted and compared with corresponding experimental test data. The model predicts similar general trends in behaviour with regard to the effect of water fog upon the UFL to those observed in the experimental tests. The results suggest that the combination of nitrogen dilution and high density water fog can produce a significant reduction in the range of the UFL and total extent of the flammable region.
