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Journal of Hazardous Materials, ISSN 0304-3894, 2009, Volume 170, Issue 2, pp. 595 - 604
Journal Article
Computational Materials Science, ISSN 0927-0256, 07/2007, Volume 40, Issue 1, pp. 159 - 167
A quantitative structure–property relationship (QSPR) treatment of intrinsic viscosity of polymer solutions was performed by means of a genetic algorithm based... 
GA-MLR | QSPR | RBFNN | Intrinsic viscosity | SHAPE | MATERIALS SCIENCE, MULTIDISCIPLINARY | intrinsic viscosity | DESCRIPTORS | PREDICTION | Polymers | Algorithms | Polymer industry
Journal Article
Energy and Fuels, ISSN 0887-0624, 07/2010, Volume 24, Issue 7, pp. 3867 - 3871
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... 
ENGINEERING, CHEMICAL | POINT TEMPERATURE | ENERGY & FUELS | MOLECULAR DIFFUSIVITY | STRUCTURE-PROPERTY RELATIONSHIP | COMPONENTS | PREDICTION | SOLUBILITY
Journal Article
Journal of Hazardous Materials, ISSN 0304-3894, 2009, Volume 169, Issue 1, pp. 217 - 220
Journal Article
Industrial and Engineering Chemistry Research, ISSN 0888-5885, 08/2009, Volume 48, Issue 15, pp. 7406 - 7416
In the present study, a group contribution based-neural network method is developed to predict the lower flammability limit temperature (LFLT) of pure... 
ENGINEERING, CHEMICAL | ENTHALPY | FLASH-POINT TEMPERATURE | STRUCTURE-PROPERTY RELATIONSHIP | COMPONENTS | MOLECULAR-BASED MODEL | POLYMER-SOLUTIONS | QSPR MODEL | PREDICTION | SOLUBILITY
Journal Article
Industrial and Engineering Chemistry Research, ISSN 0888-5885, 02/2012, Volume 51, Issue 6, pp. 2797 - 2803
Journal Article
Energy and Fuels, ISSN 0887-0624, 09/2008, Volume 22, Issue 5, pp. 3037 - 3039
A quantitative structure-property relationship (QSPR) study was performed to develop a model for prediction of the lower flammability limit (LFL) of pure... 
REGRESSION | MIXTURES | ENGINEERING, CHEMICAL | ENTHALPY | TEMPERATURE | ENERGY & FUELS | COMPONENTS | MOLECULAR-BASED MODEL | AIR | QSPR MODEL | SOLUBILITY
Journal Article
Chemometrics and Intelligent Laboratory Systems, ISSN 0169-7439, 2008, Volume 91, Issue 2, pp. 177 - 180
Journal Article
Journal of Thermal Analysis and Calorimetry, ISSN 1388-6150, 1/2012, Volume 107, Issue 1, pp. 13 - 14
Journal Article
Australian Journal of Chemistry, ISSN 0004-9425, 04/2009, Volume 62, Issue 4, pp. 376 - 381
A predictive approach has been presented to calculate the standard enthalpy of formation of pure compounds based on a quantitative structure–property... 
FLASH-POINT TEMPERATURE | HYDROCARBONS | HEATS | MONOSUBSTITUTED ALKANES RX | COMPONENTS | NEURAL-NETWORK | THERMOCHEMICAL PROPERTIES | QSPR MODEL | DERIVATIVES | CHEMISTRY, MULTIDISCIPLINARY | SOLUBILITY
Journal Article
Thermochimica Acta, ISSN 0040-6031, 2008, Volume 469, Issue 1, pp. 8 - 11
A quantitative structure property relationship (QSPR) study was performed to develop a model for prediction of enthalpy of sublimation of pure components. For... 
Enthalpy of sublimation | GA-MLR | QSPR | CHEMISTRY, ANALYTICAL | enthalpy of sublimation | ENERGETIC MATERIALS | CHEMISTRY, PHYSICAL | QSPR MODEL | QUANTUM-MECHANICAL CALCULATIONS | REGRESSION-ANALYSIS | THERMODYNAMICS | PACKING | STRUCTURAL-PROPERTIES | SOLID-PHASE HEATS | Analysis | Models | Algorithms
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 03/2012, Volume 317, pp. 43 - 51
► An accurate method is presented to predict the normal boiling vaporization enthalpy. ► 4879 pure compounds are investigated in this study. ► The model has... 
Normal boiling point | Molecular modeling | Vaporization enthalpy | STANDARD ENTHALPY | CHEMISTRY, PHYSICAL | VAPOR-PRESSURES | QSPR MODEL | PREDICTION | ENGINEERING, CHEMICAL | PURE COMPOUNDS | THERMODYNAMICS | FLASH-POINT TEMPERATURE | STRUCTURE-PROPERTY RELATIONSHIP | ORGANIC-COMPOUNDS | GENERALIZED CORRELATION | LOWER FLAMMABILITY LIMIT
Journal Article
Journal of Applied Polymer Science, ISSN 0021-8995, 01/2007, Volume 103, Issue 1, pp. 31 - 36
The simplest experimental method to determine the Hansen solubility parameters (HSPs) for a polymer is to evaluate whether or not it dissolves in selected... 
coatings | adhesion | cohesion | Coatings | Cohesion | Adhesion | SYSTEMS | POLYMER SCIENCE | THERMODYNAMICS
Journal Article
International Journal of Molecular Sciences, ISSN 1422-0067, 05/2007, Volume 8, Issue 5, pp. 407 - 432
The standard enthalpy of formation of 1115 compounds from all chemical groups, were predicted using genetic algorithm-based multivariate linear regression... 
GA-MLR | Enthalpy of formation | QSPR | enthalpy of formation | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Energy, ISSN 0360-5442, 09/2018, Volume 158, p. 924
One of the key challenges in exergy analysis is computation of the standard molar chemical exergies of the compounds involved in the process or system. Here,... 
Entropy of formation | Experimental data | Enthalpy | Entropy | Fuels | Equilibrium | Chemical compounds | Thermodynamics | Organic chemistry | Constituents | Computation | Organic chemicals | Exergy | Organic compounds
Journal Article
Journal of Chemical and Engineering Data, ISSN 0021-9568, 10/2011, Volume 56, Issue 10, pp. 3775 - 3793
In this communication, the quantitative structure-property relationship (QSPR) strategy is applied to present two molecular models for determination of the... 
Engineering Sciences | Chemical and Process Engineering
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 02/2012, Volume 316, Issue 25, pp. 34 - 45
► The Support Vector Machine (SVM) algorithm is used to present several hydrate numerical models. ► The objective is to determine the hydrate dissociation... 
Phase equilibria | Water soluble promoters | Reliable models | Clathrate hydrate | Support Vector Machine | Numerical models | Methane | Algorithms | Heterocyclic compounds | Hydrogen | Analysis | Gas hydrates | Universities and colleges | Hydrates | Engineering Sciences | Chemical and Process Engineering
Journal Article
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