利用红外光谱在线监测丙二睛、亚硝酸钠和盐酸羟胺合成3-氨基-4-氨基肟基呋咱的反应过程,采用多元曲线分辨-交替最小二乘法(MCR-ALS)、直观推导式演进特征投影法(HELP)等化学计量学方法对反应过程所获得的实时红外光谱数据矩阵进行解析,得到了各组分纯物质的浓度变化曲线和对应的红外光谱,并将多元曲线分辨-交替最小二乘法与直观推导式演进特征投影法的分析结果进行比较,得出可相互验证的一致结论,据此推出该反应合理的反应机理.2种方法得到的反应物与生成物的光谱与原光谱的相似度近似于1,说明该解析方法具有准确性和可靠性.结果表明,化学计量学结合红外光谱可有效的应用于3-氨基4-氨基肟基呋咱合成过程的机理推断.
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