一种基于晶体结构数据建立XRD内标法定量相分析标准曲线库的方法

A Method of Establishing Standard Curves Database for Quantitative Phase Analysis by XRD Internal Standard Method Based on Crystal Structure Data

目前XRD内标法定量相分析存在标样难以获取、成本高,试验过程不一致导致不同实验室测试结果没有可比性等问题。针对该问题,笔者提出以晶体结构数据为依据,通过理论计算获得XRD内标法定量相分析的标准曲线来进行定量分析。并在Philips X’Pert Pro MPD衍射仪上用刚玉等5种标准样品进行了实际测试验证,结果表明该方法具有可行性。最后在此基础上提出建立XRD内标法定量相分析标准曲线库的设想和具体的方案。

At present the issues existed in quantitative phase analysis by XRD internal standard method,such as the high cost and difficult acquirement of the standard specimens,no comparability of the testing results due to the different testing procedures and different laboratories and so on.Aiming at these issues,the standard curves obtained by XRD internal standard method through calculation were used to quantitatively analyze according to the crystal structure data.The feasibility of this method was verified through the tests of five standard specimens by Philips X＇Pert Pro MPD diffractometer.Based on the method,the proposal and scheme about establishing the standard curves database for the quantitative phase analysis by XRD internal standard method were put forward.