刑事技术2026，Vol.51Issue(1)：9-15,7.DOI:10.16467/j.1008-3650.2024.0098
基于PXRD Rietveld精修的自制硝铵炸药量化表征方法
Quantitative Characterization of Homemade Ammonium Nitrate Explosives Based on Powder X-ray Diffraction(PXRD)Patterns with Rietveld Refinement
摘要
Abstract
Industrial explosives are usually strictly controlled,with many sales links and high prices,which bring great profits to the homemade explosives.In recent years,cases of illegal manufacturing,trading,transportation and storage of ammonium nitrate explosives have frequently occurred.The raw materials for homemade ammonium nitrate explosives are widely available and easy to obtain.These result in the complex compositions and formulations.Accurate qualitative and quantitative characterization of its composition is of great significance for comparison,tracing and case investigation.Powder X-ray diffraction(PXRD)has become an efficient method to identify the component.However,it is still in the qualitative stage,i.e.matching of the phase and lack of quantitative method to illustrate the content of each substance in mixtures.In this paper,a quantitative method based on PXRD is described,including pre-processing method,sample preparation,instrument parameter settings and full spectrum fitting method.Firstly,the crystalline phase and amorphous phase components contained in the sample are accurately judged.Subsequently,Rietveld refinement method is used in which multi-dimensional factors such as structural parameters,peak parameters,instrument parameters are all included.The differences between the measured pattern and the calculated pattern is the target function and the optimization algorithm is used to obtain model parameter.After refinement fitting,the best structural parameters and other parameters including content of each component are all identified.The method can realize the quantitative characterization of powder,granular,or block solids.It can provide an important basis for the comparison and tracing of such evidences,so as to further correlate the cases.关键词
自制硝铵炸药/粉末X射线衍射法(PXRD)/精修/量化表征/微量物证Key words
homemade ammonium nitrate/PXRD/refinement/quantitative characterization/trace evidence分类
社会科学引用本文复制引用
李亚军,邓显贺,郑继利,王萍,郭洪玲,刘占芳,梅宏成,朱军..基于PXRD Rietveld精修的自制硝铵炸药量化表征方法[J].刑事技术,2026,51(1):9-15,7.基金项目
中央级公益性科研院所基本科研业务费专项资金项目(2022JB010) （2022JB010）
国家自然科学基金项目(22408052) （22408052）
