| 浮选药剂的量子化学研究 |
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| 引用本文： | 陈建华,冯其明.浮选药剂的量子化学研究[J].有色金属,1999,51(1):18-21. |
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| 作者姓名： | 陈建华 冯其明 |
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| 作者单位： | 中南工业大学矿物工程系!长沙410083 |
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| 基金项目： | 国家自然科学基金，国家博士点基金 |
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| 摘 要： | 介绍量子化学ＨＭＯ基本原理，采用ＱＢＡＳＩＣ语言和数据库技术， 设计了实用的ＨＭＯ法量子化学计算程序，用ＨＭＯ法对常用浮选药剂的基团进行了计算，讨论取代原子和不同分子状态对浮选药剂性能的影响。
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| 关 键 词： | 量子化学 HMO法 浮选药剂 选矿 浮选 |
STUDY OF FLOTATION REAGENTS USING QUANTUM CHEMICAL METHOD |
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| CHEN Jianhua,FENG Qiming,LU Yiping.STUDY OF FLOTATION REAGENTS USING QUANTUM CHEMICAL METHOD[J].Nonferrous Metals,1999,51(1):18-21. |
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| Authors: | CHEN Jianhua FENG Qiming LU Yiping |
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| Abstract: | HMO chemical method was introduced in this paper. A computer program was designed for calculation of flotation reagents using QBASIC language and technique of data bank. Some functional groups of reagent widely used in flotation have been calculated using HMO method. The effects of atoms of substitute and different molecular state on activity of reagent were discussed. |
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| Keywords: | quantum chemical method HMO reagent of flotation |
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