Tackle simulation of polymerization parameters with the newly developed copolymerization model by Polymer Institute of Brno, Unipetrol Group.
The copolymerization model can be utilized in two principal ways, as a tool for an on-line prediction of mechanical properties during the particular copolymer grade production, and as a tool for the determination of polymerization conditions leading to the synthesis of improved copolymer grades with a balancedcombination of stiffness/impact resistance.
Copolymerization model - simulation of mechanical properties of heterophase copolymer Impact resistance of heterophase copolymer is mainly influenced by the ethylene-propylene rubber phase (RC) content and composition in heterophase copolymer, including ethylene content in the rubber phase (C2-RC). The higher the rubber content, the higher the impact resistance. But the increase in this parameter is manifested also by some additional effects - e.g. by decreasing the heterophase copolymer stiffness. The isotacticity of homopolymer matrix (Al/Si molar ratio), its melt flow rate (MFR1) and melt flow rate of resulting heterophase copolymer (MFR2) show an additional impact on mechanical properties of heterophase copolymers.
The copolymerization model, created in Polymer Institute Brno, is based on the mechanical properties data pertaining to 28 copolymer samples, synthesized at defined ranges of the above mentioned parameters. The multidimensional regression analysis of the impact of these five parameters (Al/Si, MFR1, MFR2, RC, C2-RC) on the heterophase copolymer stiffness and impact resistance has led to the model, represented by Equation 1, specifying the heterophase copolymer stiffness (FM), and by Equation 2, specifying the copolymer impact resistance (Charpy) at 23°C and -20°C.
FM = a + b × ln(MFR1) + c × ln(MFR2) + d × (RC) + e × (RC)2 + f × (C2 - RC) + g × (C2 - RC)2
(1) where a, b, c, d, e, f, g are best-fitted correlation coefficients
Charpy = a + b × ln(MFR1) + c × ln(MFR2) + d × (RC) + e × (RC)2
(2) where a, b, c, d, e, f, g are best-fitted correlation coefficients
Based on the input of these five variables the resulting copolymerization model enables to calculate and optimize the stiffness and the impact resistance of resulting heterophase copolymer (MFR 21N = 25 g/10min).
Influence of RC content
10 12
4 6 8
0 2
15 16 16 17 17 18 RC (wt.%) ° 18 19 19
(AI/Si = 3, MFR1 = 40, MFR2 = 25, C2-RC = 45 wt.%) Charpy 23°C
Charpy -20°C Flex. modulus
1500 1450
1400 1350 1300 1250 1200
10 12
4 6 8
0 2
45 50 55 C2-RC (wt.%) Contact: Dr. Jan Gruza, Senior Researcher at Polymer Institute Brno,
Jan.Gruza@
polymer.cz,
www.polymer.cz/en 60 Influence of C2-RC content
(AI/Si = 3, MFR1 = 40, MFR2 = 25, C2-RC = 18 wt.%) Charpy 23°C
Charpy -20°C Flex. modulus
1500 1450 1400 1350 1300 1250 1200
+ f × (C2 - RC) + g × (C2 - RC)2
Charpy (kJ/m2
)
Flexural modulus (MPa) Charpy (kJ/m2 )
Flexural modulus (MPa)
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