FLASH POINT. PART IV. THE DESCRIPTORS METHOD
Journal: Pozharovzryvobezopastnost/Fire and Explosion Safety (Vol.23, No. 5)Publication Date: 2014-05-29
Authors : ALEXEEV S. G. Candidate of Chemistry Sciences ALEXEEV K. S. SMIRNOV V. V. Lecturer BARBIN N. M. Doctor of Technical Sciences;
Page : 18-37
Keywords : flash point; calculation; forecast; descriptor.;
Abstract
Survey of procedures of the descriptors method of forecasting of flash point of organic liquids is given. This method is conditionally subdivided on four types. The first type is based on the physicochemical and fire-hazard indices of fluids. The indicator variables, reflecting presence or lack of any structural fragment or substituent, are used in the second type. The third type is built on the topological coefficients characterizing features of a molecular structure. Stereo-electronic or Quantum-chemical performances, which are related to the space structure of a molecule and electronic parameters of atoms, are applied in the fourth type.
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