Method for quantitative analysis of polymer structure and analyzer

Patent metadata

Field	Value
Publication number	US-2018306694-A1
Application number	US-201715767519-A
Country	US
Kind code	A1
Filing date	Mar 30, 2017
Priority date	Mar 31, 2016
Publication date	Oct 25, 2018
Grant date	—

Abstract

The present application relates to a method for quantitative analysis of a polymer structure. Specifically, the method may be carried out through steps of measuring rheological properties and/or molecular weight distribution of the arbitrarily selected polymer, setting a random value for the selected polymer and then predicting the rheological property and/or the molecular weight distribution of the polymer from the random value, and comparing the measured value with the predicted value to determine the value of the structural parameter of the polymer.

First claim

1 . A method for quantitative analysis of a polymer structure comprising steps of:
(A) measuring rheological properties of the polymer; (B) selecting one or more parameters among structural parameters that said polymer may have, and assigning random values to said selected structural parameters; and (C) predicting rheological properties of the polymer to which the random values are assigned, and comparing said predicted rheological property values of the polymer with the measured rheological property values of the polymer to determine the values of the structural parameters of the polymer.

2 . The method for quantitative analysis of a polymer structure according to claim 1 , wherein the step (A) is performed by a rheometer.

3 . The method for quantitative analysis of a polymer structure according to claim 1 , wherein in the step (A), the polymer is at least one selected from the group consisting of a linear polymer, a branched polymer, a linear polymer mixture and a branched polymer mixture.

4 . The method for quantitative analysis of a polymer structure according to claim 3 , wherein the branched polymer has a weight average molecular weight ratio of side chains to the main chain of 40% or less, or a weight average molecular weight in only the side chains of 3,000 or more.

5 . The method for quantitative analysis of a polymer structure according to claim 3 , wherein the structural parameter selected in the step (B) is one or more selected from a shape of the polymer; a weight average molecular weight (Mw) of the main chain or side chains; a polydispersity index (PDI) of the main chain or side chains; or a number of the side chains.

6 . The method for quantitative analysis of a polymer structure according to claim 5 , wherein, when the polymer selected in the step (A) is a polymer mixture, said structural parameter further comprises a mass fraction between the mixed polymers.

7 . The method for quantitative analysis of a polymer structure according to claim 1 , wherein in the step (C), a step strain of a shear flow is applied to the polymer to which the random value is assigned, where the rheological properties are predicted from a stress relaxation behavior of the polymer induced by said step strain.

8 . The method for quantitative analysis of a polymer structure according to claim 7 , wherein the prediction of the rheological properties of the polymer from the stress relaxation behavior is made using a Doi-Edwards numerical analysis model.

9 . The method for quantitative analysis of a polymer structure according to claim 1 , wherein the comparison, which is performed in the step (C), between said predicted rheological property values of the polymer and said measured rheological property values of the polymer is made by calculating an error value (c) between the predicted rheological property value of the polymer and the measured rheological property value of the polymer and checking whether said error value (c) is less than a predetermined error reference value (ε s ).

10 . The method for quantitative analysis of a polymer structure according to claim 9 , wherein the determination of the structural parameter value of the polymer in the step (C) is made by setting the random value assigned in the step (B) as a definite value, when said error value is less than a predetermined error reference value (ε s ).

11 . The method for quantitative analysis of a polymer structure according to claim 10 , wherein the step (B) and the step (C) are repeated.

12 . The method for quantitative analysis of a polymer structure according to claim 11 , wherein said definite value is expressed by the minimum value and the maximum value of a plurality of definite values derived by repeating said step (B) and said step (C) two or more times.

13 . The method for quantitative analysis of a polymer structure according to claim 11 , wherein said definite value is expressed by an average value of a plurality of definite values derived by repeating said step (B) and said step (C) two or more times.

14 . The method for quantitative analysis of a polymer structure according to claim 1 , wherein the step (A) further comprises a step of measuring molecular weight distribution of the polymer using GPC.

15 . The method for quantitative analysis of a polymer structure according to claim 14 , wherein the step (C) further comprises a step of predicting the molecular weight distribution of the polymer to which the random value is assigned, and comparing said predicted molecular weight distribution value of the polymer with the measured molecular weight distribution value of the polymer to determine the value of the structural parameter of the polymer.

16 . The method for quantitative analysis of a polymer structure according to claim 15 , wherein the prediction of the molecular weight distribution of the polymer is made by assuming a log normal distribution on the polymer to which the random value is assigned.

17 . A computer-readable recording medium, wherein a program for executing the method of claim 1 is recorded.

18 . A quantitative analyzer of a polymer structure comprising:
a first measuring part for measuring rheological properties of a polymer; a setting part for selecting any one of structural parameters of the arbitrarily selected polymer and assigning a random value to said selected structural parameter; a first predicting part for predicting the rheological property of the polymer to which the random value is assigned; and a calculating part for comparing said predicted rheological property value of the polymer with the measured value of the rheological property of the polymer to determine the value of the structural parameter of the polymer.

19 . The quantitative analyzer of a polymer structure according to claim 18 , further comprising a second measuring part for measuring said molecular weight distribution of the polymer using GPC.

20 . The quantitative analyzer of a polymer structure according to claim 18 , further comprising a second predicting part for predicting the molecular weight distribution of the polymer to which the random value is assigned.

Assignees

• Lg Chemical Ltd

Inventors

• Park Sung Hyun
• Lee Chae Gyu
• Im Ye Hoon
• Sung Yu Taek
• Lee Myung Han
• Kwon Oh Joo
• Kwon Heon Yong
• Hong Dae Sik

Classifications

• G01N33/442

  Resins; Plastics · CPC title

• G01N11/00 Primary

  Investigating flow properties of materials, e.g. viscosity, plasticity; Analysing materials by determining flow properties · CPC title

• G16C60/00

  Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation · CPC title

• G01N24/08

  by using nuclear magnetic resonance (G01N24/12 takes precedence) · CPC title

• G01N2011/004

  Stress relaxation time · CPC title