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采用X射线衍射对称反射法 ,对半结晶聚酯PET2 试样收集粉末X射线衍射全图 (XDWP)数据 ,用Rietveld方法和Fourier过滤技术 ,对XDWP拟合并分离成结晶衍射峰之和CR2 和非晶散射峰之和AM2 两部分 ,与此同时获得PET2 试样的结晶相CR2 的三斜晶系晶胞参数 :a =0 .44 5 ,b =0 .5 92 ,c =1.0 72nm ,α =99.6 ,β =116 .9,γ =111.9(°) ,结晶密度dc=1.495 (g cm3) .然后由AM2 计算的约化径向分布函数G2 (r) ,得到表征非晶相结构的 3个主峰G2 1 (r)=0 .15 0 ,G2 2 (r) =0 .2 5 4,G2 3(r) =0 .46 0 (nm) .提出用“B个非晶散射峰At 之和”表达非晶相的散射曲线 ,并就PET2试样二相共存时的结晶相和非晶相的结构参数的可靠性和合理性进行了全面的诠释 .据此对半结晶PET2 的二相共存结构进行了表征 .研究表明 ,联用Rietveld方法、Fourier过滤技术和径向分布函数 (RDF)分析这一综合手段 ,是探讨半结晶高聚物二相共存结构的一个有效的新途径
The powder X-ray diffraction (XDWP) data of the semi-crystalline polyester PET2 sample was collected by X-ray diffraction symmetry reflection method. The Rietveld method and the Fourier filter technique were used to fit and separate XDWP into the sum of the crystalline diffraction peaks CR2 and Crystal diffraction peak and AM2 two parts, at the same time to obtain PET2 sample crystal phase CR2 triclinic unit cell parameters: a = 0.44 5, b = 0. 5 92, c = 1.0 72nm, α = 99.6 , β = 116.9, γ = 111.9 (°), and the crystallization density dc = 1.495 (g cm3) .According to the reduced radial distribution function G2 (r) calculated by AM2, three main peaks G2 1 r = 0.15 0, G2 2 r = 0.254, G2 3 r = 0.46 0 nm It is proposed to use “the sum of B amorphous scattering peaks At” The scattering curve of the amorphous phase is expressed and the reliability and rationality of the structural parameters of the crystalline phase and the amorphous phase in the coexistence of the two phases of the PET2 sample are comprehensively interpreted.Accordingly, The results show that the combination of Rietveld method, Fourier filter technique and radial distribution function (RDF) analysis is an effective way to study the coexistence of two phases in semicrystalline polymers New ways