Loading...
  1. Simple search
  2. Search result
Search for: enthalpy-of-fusion
0.004 seconds
Total 1 records

      A quantitative structure-property relationship for determination of enthalpy of fusion of pure compounds

      , Article Journal of Thermal Analysis and Calorimetry ; Volume 109, Issue 1 , June , 2012 , Pages 501-506 ; 13886150 (ISSN) Gharagheizi, F ; Gohar, M. R. S ; Vayeghan, M. G ; Sharif University of Technology
      2012
      Abstract
      In this study, the quantitative structure-property relationship method is applied to predict the enthalpy of fusion of pure chemical compounds at their normal melting point. A genetic algorithm-based multivariate linear regression is used to select the most statistically effective molecular descriptors for evaluating this property. To propose a comprehensive and predictive model, 3,846 pure chemical compounds are investigated. The root mean square of error and the average absolute deviation of the model are equal to 2.57 kJ/mol and 9.7%  
    Total 1 records