Research Of Water Directed Transport And Methane Hydrate’s Properties In Confined Space

Recently, the lab-on-a-chip technology, which can control and process fluid accurately in space and time, has developed gradually. It obtains a widespread attentions due to a great application. With the rapid development of nanotechnology, today’s device integration is higher than yesterday’s, but it is still very hard to control fluid in nanoscale. It is recognized that understanding the mechanism of the fluid transport in nanopores is a key step to design and apply nano fluid devices or nano energy converters and so on. With the improvement of the experimental technology, researchers can control the size of the carbon nanotubes, also can make bundles of nanotubes into film. Since carbon nanotube has a hollow structure, a controllable size and excellent physical and chemical properties, it is often used as micro channel. It is also known as the best "micro lab" which can research the behavior of material limited in nanoscale.Different researchers have proposed various novel ideas about nano pump. In this paper, according to ratchet effect theory, we designed a model of nanosized water pump based on carbon nanotube, and apply a periodic mechanical vibration on a position that deviated from the midpoint of the carbon nanotube to drive the water in the carbon nanotube. We used molecular dynamics simulation to study the influence of mechanical vibration in different positions on the directional water flow.On the other hand, energy issue has plagued human for a long time, traditional petrochemical energy is fewer and fewer. As a new clean energy, flammable ice comes into people’s eyes. Although the concept of flammable ice has been put forward for a long time, researchers have done many simulations of flammable ice in recent years, the main research is its nucleation process. If we put flammable ice into a nano space, and combined with electric field, what is the differences between their nucleation processes? This is the issues we discussed in our second part. The whole contents in this paper are as follows:In the first chapter, we introduce the background, simulation content and simulation method, including the knowledge of nano techno logy, nano water pump, flammable ice and the current researches.The second chapter, we introduce the molecular dynamics method briefly, including a introduction of GROMACS software, history of molecular dynamics, the basic principles of molecular dynamics, the equations of motion, the potential function and force field, equilibrium system simulation, boundary conditions and the main advantages and limitations of molecular dynamics,.The third chapter, we use molecular dynamics method and GROMACS, according to ratchet effect theory, designed a model of nanosized water pump based on carbon nanotube, by using a periodic mechanical vibration on carbon nanotube to drive water, studied the influence of the directional flow of water pump in different positions.The fourth chapter, we study the character of methane hydrate confined in a serial of charged carbon nanoplates by using molecular dynamics method, by adjusting the charge of carbon nanoplates to study the nature and dynamics of simulate methane hydrate confined in the charged carbon nanoplates.The fifth chapter, the summary and outlook, point out the deficiencies and improvements.