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. 2022 Jun 10;14(12):2352. doi: 10.3390/polym14122352
NdV3 Neodymium versatate.
DIBAH Diisobutylaluminum hydrade.
Me2SiCl2 Dimethyldichlorosilane.
Np Number of polymer chains per neodymium atom.
M β-myrcene monomer.
C-hex Cyclohexane.
[M]0 β-myrcene monomer concentration at t = 0.
Nd Neodymium catalyst.
[Nd]0 Neodymium catalyst concentration at t = 0.
AlRx Alkyl-aluminum cocatalyst (chain transfer agent during polymerization).
[AlRx]0 Chain transfer agent concentration at t= 0.
RHCl2 Halide donor.
[RHCl2]0 Halide donor concentration at t= 0.
Mn Number average molecular weight.
Mw Weight average molecular weight.
Mn x Number average molecular weight generated by the active centers of type x (x = I or II).
Mw x Weight average molecular weight generated by the active centers of type x (x= I or II).
Đ , MwMn Dispersity index.
MWD Molecular Weight Distribution.
C I*, C II* Active centers of type I and of type II, * denotes highly unstable species.
PnI, PnII Type I and Type II propagating polymer chain of length n, active chains.
Pn Al I Inactive chains for monomer insertion located on aluminum, dormant polymer of type I.
Pn Al II Inactive chains for monomer insertion located on aluminum, dormant species of type II.
DnI, DnII Type I and Type II inactive species, dead polymer.
kapp Apparent rate constant of propagation.
R Universal gas constant.
T Absolute temperature.
A0 Pre-exponential factor.
Ea Activation energy.
kin,I Initiation rate constant for type I species.
kin,II Initiation rate constant for type II species.
kp,I Propagation rate constant for type I species.
kp,II Propagation rate constant for type II species.
ktrc,I Chain transfer to cocatalyst rate constant for type I species.
ktrc,II Chain transfer to cocatalyst rate constant for type II species.
kda1,I Deactivation rate constant of type I active centers.
kda1,II Deactivation rate constant of type II active centers.
kda1,I Deactivation rate constant of the type I propagating polymer.
kda1,II Deactivation rate constant of the type II propagating polymer.
ktr Rate constant for the reversible transfer forward.
ktr1 Rate constant for the reversible transfer backward.
μkI k-th moment for the active polymer of type I.
ν0I k-th moment for the dead polymer of type II.
μkII k-th moment for the active polymer of type II.
βkII k-th moment for the dormant polymer of type II.
ν0II k-th moment for the dead polymer of type II.
NpExp “Experimental” average number of polymer chains produced by single neodymium atom.
Mn Theo Number average molecular weight obtained if each neodymium atom were to generate a polymer chain.
Mn Exp Number average molecular weight experimentally determined by GPC.
Mn Model Number average molecular weight obtained by the model.
EGF End-Goup Functionality.
EGFII End-Goup Functionality for polymer chains of Type II.
Rj2 Coefficient of determination.
SSTotJ Sum of squared deviations between predicted values at the time i and the average experimental values for a specific characteristic j.
SSE Sum of squared errors.
S Standard deviation.
SSResJ Sum of squared deviations between predicted values at the time i and the experimental values at the time i for a specific characteristic j.
SSTotJ Sum of squared deviations between predicted values at the time i and the average experimental values for a specific characteristic j.
Log1M The logarithm of the molecular weight corresponding to the slice retention time (averaged).
dW/d Log M Normalized distribution of molecular weights, derivative of Weight fraction with respect to logarithm of molar Mass.