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常规的X射线衍射物相定量分析方法有各自的优点,但这些方法往往也存在一些不足.在实际应用中迫切需要一种简便、高效的普适性多物相无标样定量分析方法.选择麦夸特算法、粒子群算法、遗传算法、差分进化算法这4种迭代搜索领域的经典算法构建了基于非线性模型参数估计方法的4模冗余系统,以19个配制的4相样品中各相“前三强线”的积分强度之和作为计算的原始数据,通过Matlab软件进行了含量计算.理论分析及试验结果表明,运用麦夸特算法进行定量分析具有更小的计算复杂度、更快的收敛速度及更好的全局搜索能力,各相含量的计算值与配比值的绝对误差在5%以内的约占总计算量的83%.为了验证该算法,计算了昭苏黄土剖面82个混合样品及青海湖二郎剑钻孔359个混合样品中刚玉的含量,刚玉含量的配比值与计算值的相关性分别达到0.83和0.63,刚玉含量的误差超过5%的分别占总计算量的4.88%和9.75%.基于麦夸特算法的定量分析方法在批量化处理多物相定量中具有效率高、可操作性强、准确度高等优点.
Conventional X-ray diffraction phase quantitative analysis methods have their own advantages, but these methods often have some shortcomings in the practical application of an urgent need for a simple and efficient universal multi-phase non-standard quantitative analysis method. A 4-module redundancy system based on the non-linear model parameter estimation method was constructed based on classical algorithm of four kinds of iterative search, such as Macquarie algorithm, particle swarm optimization algorithm, genetic algorithm and differential evolution algorithm. The sum of the integral strength of phase “the former three strong lines ” is used as the original data of the calculation, and the content is calculated by Matlab software.Theoretical analysis and experimental results show that using the method ofquat analysis for quantitative analysis has a smaller computational complexity , Faster convergence rate and better global search ability, the absolute error between the calculated value and the ratio value of each phase content is less than 5%, accounting for about 83% of the total calculation.In order to verify the algorithm, The contents of corundum in 82 mixed samples and 359 mixed samples from Erlang sword in Qinghai Lake were 0.83 and 0.63, respectively. The corundum content was wrong The difference of more than 5% accounted for 4.88% and 9.75% respectively of the total amount of calculation.The quantitative analysis method based on the Macquarie algorithm has the advantages of high efficiency, strong operability and high accuracy in the batch processing of multiphase quantification.