ABSTRACT
This chapter explains the solubility of gas in water confined to a small pore is estimated by two different methods. The first is an analytical method where simple but reasonable approximations are used to show that in very small pores CH4 solubility should be somewhat larger than the macroscopic measurement values. The second solubility estimate for methane in a small pore is made using equilibrium molecular dynamics simulations. Molecular simulations have made enormous strides in recent years and are gradually becoming a ubiquitous tool in science and engineering. This is due to the development of new methods for description of complex fluids and materials and due to the availability of high-speed and large-capacity computers to an increasing number of researchers. The chapter discusses the solubility of methane in bulk water and in water confined to micropore using the test-particle method combined with the excluded volume map sampling method.
