有关饮水的团簇结构及其影响因素的研究在国内外尚未见系统报道。由于水的团簇结构可能对人体健康具有一定的影响，因此本论文对饮水微观团簇结构的分析方法、规律性及影响因素进行了系统研究。本课题得到了国家自然科学基金《饮水的微观团簇结构研究》和清华大学基础研究基金《水的团簇结构及其控制机理》的资助。本论文的主要研究内容包括：1.研究适于对液态水团簇结构进行分析的实验技术；2.用所确定的分析技术研究饮水团簇结构的特征；3.对影响液态水团簇结构的因素进行研究；4.对液态水团簇结构与其宏观理化性质之间的关系进行研究。通过这些研究得出以下主要结论：1 17O谱核磁共振方法是一种有效测定液态水团簇结构平均状态的分析技术，17O-NMR半幅宽可以用来表征液态水中团簇的平均相对大小；2 优质天然饮水的17O-NMR半幅宽在天然样品中是最窄的，约在70-90Hz的范围内；3 离子浓度、温度、电磁处理及热处理等都会对水的团簇结构产生一定的影响。随着水中离子浓度的变化，水样的17O-NMR半高幅宽表现出一定的规律，这对于研究饮水对人体健康的影响具有重要的意义；随着温度的升高，水中部分氢键断裂，导致其水团簇变小；由于大量氢键的断裂和重组，在冷冻和烧开后，水样的团簇结构会发生一定的变化；根据理论计算的结果，电磁处理一般不会引起液态水中氢键的断裂，但水团簇的结构和大小可能通过隧道效应产生微小的变化，由于外磁场的作用可能会使水分子偶极矩的取向和水分子的局部磁场产生涨落，因此电磁处理后水样17O-NMR半幅宽的变化幅度和大小不稳定。4 水的粘度和团簇结构一样，反映了微观上水分子之间的相互作用，因此在温度变化时，纯水的粘度和团簇结构表现出了相同形式的变化趋势。

It hasn’t been systematacially reported on the study of drinking water cluster structure and its influencing factors. In this dissertation, the measurement methods, regularity and influencing factors of drinking water cluster structure will be studied since water cluster may have some health effects on human beings.This research has been funded by Study on Micro-Cluster Structure of Drinking Water, project of national natural science foundation and Drinking Water Cluster Structure and its Control Mechanism, project of fundamental research foundation of Tsinghua University.In this dissertation, the followings were studied: 1. appropriate measurement methods for liquid drinking water cluster structure; 2. the regularity of drinking water cluster structure; 3. the influencing factors of liquid water cluster structure; and 4. the relationship between liquid water micro-cluster structure and its macro-physicochemical properties. Based on the research, the following conclusions can be drawn:1. 17O NMR is an effective method to measure the average cluster dimension in liquid water. 17O-NMR FWHM can be used to indicate the average cluster size in liquid water;2. The 17O-NMR FWHM for good quality natural drinking water is about 70-90Hz, which is at the lowest edge of the 17O-NMR FWHM for all natural water.3. Liquid water cluster structure can be affected by ion concentration, temperature, electric or magnetic treatment or heat treatment. The 17O-NMR FWHM of the water follow certain regularity along with the ion concentration. This regularity can be used to study on the healthy effects of drinking water. Partial hydrogen bonds will be broken with water temperature increment, thus the water cluster will become smaller; lots of hydrogen bonds will be broken and rearranged in the freezing and boiling processes so the cluster structure will change after these processes; the hydrogen bonds will not be broken during electric or magnetic treatment according to the theoretical calculation results, however, water cluster structure and dimension may change a little due to tunneling effect; the 17O-NMR FWHM of electrically or magnetically treated water will fluctuate because external magnetic field may affect the orientation of water molecule dipole moment and then the local magnetic field of water molecule will fluctuate.4. The viscosity and cluster structure of pure water have the same decline mode with water temperature increment because they all reflect the interaction between water molecules.