| The eutrophication of water system is one of common ecological problem. The Three Gorges Reservoir started water storage in June 2003 and water level of the dam fluctuated around 135 meters. Since then, part of the Yangtze River became a typical channel reservoir, consequently, flow velocity of water in this area sharply decreased as hydraulic condition changed. Moreover, water level of the dam would finally reach up to 175 meters in 2009, and water flow velocity would decrease from 2 m/s to 0.25-0.5 m/s, which would seriously impair its transport and diffusion capacity for contaminants. With the same load of nitrogen and phosphor as well as the same discharge method, water quality of the Three Gorges Reservoir would definitely deteriorate. As another consequence, a series of factors resulted from damming, such as lower water flow velocity, higher transparence, depositon of suspended solid, higher water temperature, fewer foggy day and increased sunlight in winter, would be optimal for photosynthesis of aquatic plant, especially algae, which could potentially lead to eutrophication. Therefore, the structure and function of local aquatic ecosystem would be influenced by changing hydraulic condition.The pollution of The Three Gorges Reservoir was mainly due to the discharged industrial wastewater of factories which surround the Yangtze River valley and its tributaries and also the living wastewater. There are a large number of nutrients which is helpful to the growth of algae in the water. Nitrogen and phosphorus which form the structural molecules of algae cell and participate in the metabolism of plant growth are necessary for the growth of algae. The present of nutrients will lead to the unusual proliferation of algae in appropriate temperature and light conditions. More sever, it will lead to eutrophication. To those algae in freshwater lake, phosphorus is main nutrients of all kind of algae. When there are others growth factors for algae, the increase of phosphorus concentration will accelerate eutrophication. Phosphorus participates in formulation of energy storage material such as adenosine triphosphate (ATP) and creatine phosphate etc. It also plays a very important role in the process of generation and transportation of energy.The article is mainly about quantum-mechanical study of physical chemistry characters of ATP in solvent. Quantum computation of physical chemistry characters of ATP in gas phase is also provided to show differences in comparison with those in solvent condition. In reality, the process of transformation of ATP which is in cells will never take place without solvent. Though characters computed in gas phase has its referenced value, there are lots of differences compared with environment of ATP in real biologic system. Computed characters of ATP in gas phase are difficult to token biochemical characters in real cells. It is showed that, computation results considered the solvent effect are in according with physical chemistry characters of ATP in real biologic environment. Moreover, the concept of virtue cell was referenced to simplify ATP molecule in computation so as to decrease the computational cost. The original conjugate ring was replaced by a simple one. Characters of the simplified molecule are also computed to compare with those of original ATP. The work, simplification of ATP was designed mainly to cut large molecules computational costs without severely affect the computational results. |
