The applications of molecular simulation in supercritical carbon dioxide (S-CO2) and its
mixtures are reviewed. First, an overview of physical properties of S-CO2 and CO2 models is …

Tight and shale gas reservoirs contain a wide range of pore sizes on the order of
nanometers, which create notable fluid–fluid and fluid–wall interactions inside the …

We propose a new simulation method, which combines a cage model and a density of states
partitioning technique, to compute the free energy of an arbitrary solid. The excess free …

Practical engines such as liquid rockets and diesel and gas turbine engines all operate at
high pressures. For example, the chamber pressure of one of the most powerful liquid-fueled …

It is challenging to compute the partition function (Q) for systems with enormous
configurational spaces, such as fluids. Recently, we developed a Monte Carlo technique (an …

This paper presents an assessment on the use of Monte Carlo simulations and equations of
state to calculate fluid phase equilibrium of natural gas containing CO 2 and H 2 O at …

The petroleum industry has encountered significant challenges, particularly following the
identification and exploration of pre-salt reserves in Brazil. The existing methods of …

New viscosity measurements of three natural gas-like mixtures with compositions
resembling those of the Qatari North Field reservoir are reported in this work. The viscosity …

The shale plays have drastically increased production of oil and gas in the US and North
America in general. In the past couple of years, there has been tremendous research on …

1-1-1-2-tetrafluoroethane (R134a) is one of the most commonly used refrigerants. Its
thermophysical properties are important for evaluating the performance of refrigeration …