Presence Of Vapor Phase Research Articles

Thermodynamics of carbon dioxide mixtures at cryogenic conditions

Carbon capture and sequestration / utilization using cryogenic conditions have found attention due to lower energy penalty compared to other separation methods. In cryogenic processes, carbon dioxide is likely to desublimate from a vapor phase or freezes out from a liquid phase. This study deals with phase equilibrium calculations where solid carbon dioxide forms in the presence of vapor phase (SLV), liquid phase (SLE), or both (SLVE). Two of the successful solid fugacity models are used with predictive cubic equations of state (EOSs) in calculating the phase equilibrium of carbon dioxide mixtures. The advantages and limitations of the models are discussed. In addition, a new fugacity model which describes solid carbon dioxide along solid–liquid coexistence curve is developed. This model remedies the previous models and is used from low to very high pressure. This model reduces to an analytical expression for describing carbon dioxide melting curve. When coupled with the predictive cubic EOSs, this model satisfactorily describes the SVE, SLE, and SVLE of carbon dioxide mixtures.

Water liquid-vapor equilibrium by molecular dynamics: Alternative equilibrium pressure estimation

Abstract The molecular dynamics simulations of the liquid-vapor equilibrium of water including both water phases — liquid and vapor — in one simulation are presented. Such approach is preferred if equilibrium curve data are to be collected instead of the two distinct simulations for each phase separately. Then the liquid phase is not restricted, e.g. by insufficient volume resulting in too high pressures, and can spread into its natural volume ruled by chosen force field and by the contact with vapor phase as vaporized molecules are colliding with phase interface. Averaged strongly fluctuating virial pressure values gave untrustworthy or even unreal results, so need for an alternative method arisen. The idea was inspired with the presence of vapor phase and by previous experiences in gaseous phase simulations with small fluctuations of pressure, almost matching the ideal gas value. In presented simulations, the first idea how to calculate pressure only from the vapor phase part of simulation box were applied. This resulted into very simple method based only on averaging molecules count in the vapor phase subspace of known volume. Such simple approach provided more reliable pressure estimation than statistical output of the simulation program. Contrary, also drawbacks are present in longer initial thermostatization time or more laborious estimation of the vaporization heat. What more, such heat of vaporization suffers with border effect inaccuracy slowly decreasing with the thickness of liquid phase. For more efficient and more accurate vaporization heat estimation the two distinct simulations for each phase separately should be preferred.

Heat transfer model for quenching by submerging

In quenching by submerging the workpiece is cooled due to vaporization, convective flow and interaction of both mechanisms. The dynamics of these phenomena is very complex and the corresponding heat fluxes are strongly dependent on local flow variables such as velocity of fluid and vapor fraction. This local dependence may produce very different cooling rates along the piece, responsible for inappropriate metallurgical transformations, variability of material properties and residual stresses. In order to obtain an accurate description of cooling during quenching, a mathematical model of heat transfer is presented here. The model is based on the drift-flux mixture-model for multiphase flows, including an equation of conservation of energy for the liquid phase and specific boundary conditions that account for evaporation and presence of vapor phase on the surface of the piece. The model was implemented on Comsol Multiphysics software. Generation of appropriate initial and boundary conditions, as well as numerical resolution details, is briefly discussed. To test the model, a simple flow condition was analyzed. The effect of vapor fraction on heat transfer is assessed. The presence of the typical vapor blanket and its collapse can be recovered by the model, and its effect on the cooling rates on different parts of the piece is analyzed. Comparisons between numerical results and data from literature are made.