CHEN Yingcai, LUO Mengbo, XU Jianmin, SONG Xubing. CONFIGURATION-DEPENDENT PROPERTIES OF POLY(OXYETHYLENE) IN THE THIRD-ORDER INTERACTION APPROXIMATION[J]. Acta Polymerica Sinica, 2000,(6):672-675.
CHEN Yingcai, LUO Mengbo, XU Jianmin, SONG Xubing. CONFIGURATION-DEPENDENT PROPERTIES OF POLY(OXYETHYLENE) IN THE THIRD-ORDER INTERACTION APPROXIMATION[J]. Acta Polymerica Sinica, 2000,(6):672-675.DOI:
On the basis of rotational isomeric state (RIS) theory
the first-order
second-order
and third-order conformational energies were calculated for poly(oxyethylene)\[(CH2—CH2—O)x] (POE)chain using semiempirical potential function.Configuration-dependent properties of POE chains
such as the characteristic ratio r2>/nl2
the dipole moment ratio μ2>/nm2 and their temperature coefficients dln r2>/dT and dln μ2>/dT
were calculated using the statistical weight matrix method
where r2> in the meam-square end-to-end distance
μ2> is the meansquare dipole moment
n means the length of chain
l and m are the bond length and bond dipole moment
respectively.Results showed that
for long POE chainsr2>/nl2=4.9
dlnr2>/dT=-1.5×10-3K-1
μ2>/nm2/nm2=0.49
and dlnμ2>dT=2.8×10-3K-1.All these values are better than tose obtained from the second-order interaction approximation
and the characteristic ratio and the dipole moment ratio are in good agreement with early experimental findings.