Polymerization reactor simulation

monomer -> polymer (Mn/Mw/PDI)

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Governing equations

The exact equations the solver works for a polymerization reactor — the same math shown in the app's "Theory" panel, not a black box.

[R^\bullet]=\sqrt{2f k_d [I]/k_t},\qquad R_p=k_p[M][R^\bullet]

\nu=\dfrac{k_p[M]}{2\sqrt{f k_d k_t [I]}},\quad \overline{DP}_n=\nu,\;\; \text{PDI}\approx 2

M_n=\overline{DP}_n M_0,\qquad M_w=\text{PDI}\cdot M_n

Parameters

monomer [feed component]; free-radical CSTR: volume [m^3], initiator_conc [mol/m^3], temperature [K], monomer_mw [kg/mol], optional kp0/kp_ea, kt0/kt_ea, kd0/kd_ea Arrhenius constants, initiator_efficiency f — reports conversion, Mn, Mw, PDI

Example flowsheets that use it

Polymerization reactor simulation

Governing equations

Parameters

Example flowsheets that use it

Free-radical polymerization (CSTR)

Polymerization reactor comparison: CSTR cascade vs. tubular (PFR)

Continuous polymerization -> inline devolatilization -> melt transfer

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