矿物表面和浮选药剂分子都具有一定的空间结构，浮选药剂分子与矿物表面作用具有空间结构位阻效应，浮选药剂分子和矿物表面发生有效作用需要在空间结构上和电子性质上相互匹配。本项目采用晶体场理论、配位化学理论、量子理论、固体物理理论以及基于微量热技术的微热动力学方法研究矿物表面原子与浮选药剂分子作用的空间结构效应，考察空间结构和配位结构对矿物表面原子剩余价键性质的影响，建立矿物表面原子吸附活性的微观模型；从吸附构型、吸附热力学和吸附动力学等方面研究矿物表面相邻原子、配位数以及空间结构位阻效应对浮选药剂吸附性能的影响，建立浮选药剂分子与矿物表面作用的空间结构相互匹配模型。项目研究将传统浮选药剂分子设计中“结构-性能”两维参数，扩展到“药剂分子结构-矿物表面结构-性能”三维参数，研究结果对于浮选药剂分子设计和新药剂开发具有重要的理论意义和实际应用价值。

Both mineral surface and flotation reagent molecule have a certain spatial structure, and steric effect would be occur during the adsorption of flotation reagent molecule on the mineral surface. hence, effective interaction of flotation reagent molecule with mineral surface requires the matching in the spatial structure and electronic propeties. The spatial structure effect on the interaction of reagent molecule with mineral surface will be studied by using crystal field theory, the theory of coordination chemistry, quantum theory, the theory of solid physics and thermokinetics method based on the measurement of micro-heat. The influence of spatial structure and coordination structure on the residual valence bond properties will be investigated, and the micro model of adsorption activity of atom on the mineral surface will be built. The effect of mineral surface on the adsorption performance of flotation reagents will be explored from micro adsorption structure, thermokinetics and kinetics. The spatial structure matching of spatial structure between flotation reagent molecule and mineral surface will be obtained. This research extends the traditional molecular design parameters "structure-activity" to "reagent molecular structure-mineral surface structure-activity", which would be very significant for the molecular design theory of flotation reagent and the development of new efficiency flotation reagents.