Method for calculating refractive index of hydrocarbon compounds

Method for calculating refractive index of hydrocarbon compounds

  • CN 106,446,485 A
  • Filed: 07/31/2015
  • Published: 02/22/2017
  • Est. Priority Date: 07/31/2015
  • Status: Active Application
First Claim
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1. a kind of method calculating hydrocarbon compound refractive index, comprises the following steps:

  • (1) will be identical for molecular skeleton in hydrocarbon compound and the different compound of its skeleton is connected alkylSort out;

    (2) determine the class belonging to compound to be calculated according to the classifying method of step (1), select suchizationThe compound of its refractive index known to one in compound;

    (3) refractive index RI of n-alkane and the incidence formula of the variables A characterizing molecular structure are obtainedRI=f (A);

    (4) using the refractive index data RI belonging to similar known compound with compound to be calculated0And its tableLevy value A of the variables A of molecular structure0, refractive index RI- to n-alkane in step (3)The incidence formula characterizing the variables A of molecular structure is corrected, and obtains the refraction of such compoundRate RI- characterizes incidence formula RI=f (A+A '"'"') of the variables A of molecular structure, and wherein A '"'"' is normalNumber;

    (5) determine the value of the variables A of sign molecular structure of compound to be calculated, substitute in step (4)Refractive index RI- of such compound obtaining characterizes the incidence formula of the variables A of molecular structureRI=f (A+A '"'"'), obtains the refractive index of compound to be calculated.

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