Experimental Characterization and Molecular Study of Natural Gas Mixtures

Natural Gas (NG) plays an important role in the energy demand in the United States and throughout the world. Its characteristics as a clean, versatile and a sustainable source of energy makes it an important alternative within the spectra of energy resources. Addressing industrial and academic needs in the natural gas research area requires an integrated plan of research among experimentation, modeling and simulation. In this work, high accuracy PpT data have been measured with a high pressure single sinker magnetic suspension densimeter. An entire uncertainty analysis of this apparatus reveals that the uncertainty of the density data is less that 0.05% across the entire ranges of temperature (200 to 500) K and pressure (up to 200 MPa). These characteristics make the PpT data measured in this study unique in the world. Additionally, both a low pressure (up to 35 MPa) and a high pressure (up to 200 MPa) isochoric apparatus have been developed during the execution of this project. These apparatuses, in conjunction with a recently improved isochoric technique, allow determination of the phase envelope for NG mixtures with an uncertainty of 0.45% in temperature, 0.05% in pressure and 0.12% in density. Additionally, an innovative technique, based upon Coherent Anti-Stokes Raman Scattering (CARS) and Gas Chromatography (GC), was proposed in this research to minimize the high uncertainty introduced by the composition analyses of NG mixtures. The collected set of P?T and saturation data are fundamental for thermodynamic formulations of these mixtures. A study at the molecular level has provided molecular data for a selected set of main constituents of natural gas. A 50-50% methane-ethane mixture was studied by molecular dynamics simulations. The result of this study showed that simulation time higher than 2 ns was necessary to obtain reasonable deviations for the density determinations when compared to accurate standards. Finally, this work proposed a new mixing rule to incorporate isomeric effects into cubic equations of state