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The Two-Site Model Simulation Analysis
This program calculates the optimum pentad fractions based on the 13C-NMR analysis data of the polyolefins using two-site model, developed by Chujo*), and also calculates three stochastic parameters regarding the catalyst as shown below.
Only pentad fractions are necessary to get values of three parameters !
The parameters which will be calculated:
- α (alpha)
- probability of the selection of D monad in the asymmetric Bernoullian (D or L) site
- σ (sigma)
- probability of the selection of m diad in the symmetric Bernoullian (m or r) site
- ω (omega)
- mole fraction of the monomer units produced from asymmetric sites
Before using this program, please read through the request to user.
This program is presented by Riichiro Chujo, Masayoshi Saito, and Takuo Kataoka.
Republication or reproduction is forbidden without written permission.
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*) R. Chujo, Kagaku, 36, 420 (1981).