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US 2011/0035193 A1Published application
System and method for estimating density of a polymer
AssigneeChevron Phillips Chemical Company LP
InventorsPaul J. Deslauriers, David C. Rohlfing
Life of this patent
Estimating the term…
Abstract
Systems and methods for predicting or calculating a virtual polymer property that is related to polymer architecture of a semi-crystalline polymer or calculating various virtual polymer properties related to polymer architecture as a means to design resins for particular end-use applications that require various mechanical and physical properties.
Claims19
A method to determine a virtual density of a polymer comprising:
- a) determine a plurality of density values as a function of a Molecular Weight (MW) and a Molecular Weight Distribution (MWD) profile of the polymer wherein each of the plurality of density values is determined at a different MW location across the MWD profile;
- and
- b) sum the plurality of density values to obtain the virtual density;
- wherein the MW and the MWD comprise data obtained as measured properties, data provided as a digitally determined value, data obtained by curve fitting the data obtained as measured properties, data provided as an arbitrarily assigned value or a combination thereof.
1 more element
A method to determine a virtual density of a polymer having short chain branches (SCB) comprising:
- a). determine a plurality of density values as a function of a Molecular Weight (MW) and a Molecular Weight Distribution (MWD) profile of the polymer wherein each of the plurality of density values is determined at a different MW location across the MWD profile;
- and
- b). adjust the plurality of density values for a SCB contribution to density suppression to obtain an adjusted density value;
- and
- c) sum the adjusted density values to obtain a virtual density;
- wherein the SCB, MW and the MWD comprise data obtained as measured properties, data provided as a digitally determined value, data obtained by curve fitting the data obtained as measured properties, data provided as an arbitrarily assigned value or a combination thereof.
3 more elements
A method to determine a virtual density of a polymer comprising:
- a). determine a calculated density value for each Molecular Weight (MW) across a Molecular Weight Distribution profile of the polymer using an equation:
- ρ=[a−b Log M]
- to obtain a plurality of calculated density values;
- wherein coefficients a and b are determined by a least square fit to a data set of log M and measured density values;
- and
- b). sum the plurality of calculated density values of step a) using an equation:
- 1
- /
- ρ
- =
- ∑
- (
- w
- i
- /
- ρ
- i
- )
- =
- ∫
- 1
- ρ
-
- (
-
- w
-
- log
-
-
- m
- )
-
-
-
- log
-
-
- m
- where:
- ρ=[a−b Log M]
- to obtain the virtual density;
- wherein the MW and the MWD comprise data obtained as measured properties, data provided as a digitally determined value, data obtained by curve fitting the data obtained as measured properties, data provided as an arbitrarily assigned value or a combination thereof.
40 more elements
A method to determine a virtual density of a polymer having short chain branching (SCB) comprising:
- a). determine a calculated density value for each Molecular Weight (MW) across a Molecular Weight Distribution profile of the polymer using an equation:
- ρ=[a−b Log M]
- to obtain a plurality of calculated density values;
- wherein coefficients a and b are determined by a least square fit to a data set of log M and measured density values;
- and
- b). correlate a suppression of the plurality of calculated density values with an incorporation of SCB in relation to a PDI of the polymer using an equation:
- Δρ=C1(SCB/PDIn)C2+C3(SCB/PDIn)C4
- to obtain a change in density;
- wherein the coefficients n and C1-4 are determined from curve fitting any data obtained as measured property;
- and
- c). calculate the virtual density using an equation:
- 1
- /
- ρ
- =
- ∑
- (
- w
- i
- /
- ρ
- i
- )
- =
- ∫
- 1
- ρ
-
- (
-
- w
-
- log
-
-
- m
- )
-
-
-
- log
-
-
- m
- wherein ρ=[the results in step a)] minus [the results in step b)];
- and
- wherein the MW, MWD, SCB, and PDI comprise data obtained as measured properties, data provided as a digitally determined value, data obtained by curve fitting the data obtained as measured properties, data provided as an arbitrarily assigned value or a combination thereof.
44 more elements
A method to determine a polymer virtual property value comprising:
- selecting a property related to a polymer density and constructing a calibration curve based upon measured density data and measured polymer property data;
- and use the calibration curve to estimate the property value at each point of Molecular Weight across a Molecular Weight Distribution profile of the polymer to obtain a plurality of calculated property values;
- and sum the calculated property values to obtain the polymer virtual property value;
- wherein the MW and the MWD comprise data obtained as measured properties, data provided as a digitally determined value, data obtained by curve fitting the data obtained as measured properties, data provided as an arbitrarily assigned value or a combination thereof.
1 more element
Dependencies are inferred from the claim text.