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大角X射线衍射法估算纤维的结晶度和晶粒表现尺寸时,一般采用的方法是把归一化的衍射强度曲线分解为一个以多项式表示的非晶部分散射曲线及几个以高斯函数和柯西函数组合起来表示的结晶峰;分峰之后,试样的结晶度一般用峰面积结晶度即解析峰下面经归一化的散射对未经解析而归一化的曲线下的总散射的面积比率求得.结晶表现尺寸从相应的结晶峰半高宽求得.但上述的分峰方法得不到分峰结果的唯一解.本研究工作采纳前人提出的PET结晶样品X射线衍射强度曲线所包含的非晶部分曲线的一系列理论和经验的假设,作为物理制约条件,进而与数学上的满足条件相结合,在进行分峰时,可以解出数学上符合δ<3%的精度、物理意义上符合客观存在的解.并通过对PET纤维的研究,对上述方法作了证实.
When X-ray diffraction is used to estimate the crystallinity and grain size of fiber, the normalized diffraction intensity curve is decomposed into a polynomial scattering curve of amorphous part and several Gaussian functions West function combination expressed crystallization peak; sub-peak, the crystallinity of the sample is generally used in the peak area of crystallinity that is normalized under the analytical peak scattering normalized without analysis of the curve of the total scattering area Ratio obtained from the crystal size of the corresponding half-width of the crystallization peak obtained, but the above-mentioned peak-point method can not get the only solution peak results of this work to adopt previous PET crystalline samples X-ray diffraction intensity curve Contains a series of amorphous part of the curve of the theory and experience of assumptions, as a physical constraint, and then with the mathematical satisfaction of the conditions combined, the peak can be solved mathematically agree with the accuracy of δ <3% Physical meaning in line with the objective existence of the solution and through the study of PET fibers, the above method was confirmed.