Can we approach the gas-liquid critical point using slab simulations of two coexisting phases?

In this paper, we demonstrate that it is possible to approach the gas-liquid critical point of the Lennard-Jones fluid by performing simulations in a slab geometry using a cut-off potential. In the slab simulation geometry, it is essential to apply an accurate tail correction to the potential energy, applied during the course of the simulation, to study the properties of states close to the critical point. Using the Jane. cek slab-based method developed for two-phase Monte Carlo simulations [J. Janecek, J. Chem. Phys. 131, 6264 (2006)], the coexisting densities and surface tension in the critical region are reported as a function of the cutoff distance in the intermolecular potential. The results obtained using slab simulations are compared with those obtained using grand canonical Monte Carlo simulations of isotropic systems and the finite-size scaling techniques. There is a good agreement between these two approaches. The two-phase simulations can be used in approaching the critical point for temperatures up to 0.97 T*(C) (T* = 1.26). The critical-point exponents describing the dependence of the density, surface tension, and interfacial thickness on the temperature are calculated near the critical point. Published by AIP Publishing.

Ultra-thin dielectric layers on metal substrates studied by scanning tunneling microscopy and scanning tunneling spectroscopy

In this thesis, ultra-thin dielectric layers on metal substrates are studied mainly by scanning tunneling microscopy and scanning tunneling spectroscopy. In chapter 2, field emission resonances, i.e. bound states in the potential well between sample and tip with an applied voltage, are used to determine the local work function on a sample with patches of different structural composition. To do so, a simple theoretical model is developed and used to simulate the peak positions of the measured dI/dV spectra. In the present case the sample is a Ag(100) surface covered by up to three monolayers of NaCl. The presented method is also applicable to other systems suitable for STM measurements. Additionally, the surface potential is locally probed in the dipole layer region between domains of different work function. In chapter 3, new molecular structures on silver surfaces are presented, that are formed by a mixture of gases. This mixture contains the small molecules H2, H2O, CO, CO2, and N2. No final conclusion can be drawn on the chemical nature of these structures due to the impossibility of the scanning tunneling microscope to determine chemical species. But already the presence of these structures indicates that there is a multitude of unknown interactions, that are possible between a transition metal surface and even smallest molecules. In chapter 4, the moiré pattern is described that a BC3 film creates on a NbB2(0001) surface. As the growth of the BC3 sheet is incommensurate, a moiré pattern is formed that modulates the apparent height of the atoms on the STM images, i.e. the local density of states. The BC3 layer exhibits a completely different behavior than the closely related graphite layer, because it is transparent for the tunnel current. In the present case, the BC3 layer is visible on the STM images only by its moiré effect.

EPFL2007

Preliminary Study of a Solar Trough/Tower Power Plant

Jorge López Moreno

The possibility of combining both the advantages of a solar tower thermal power plant and of a solar parabolic trough power plant could be interesting from an energetic point of view as well from an economic point of view. The preliminary study of this combination feasibility is the goal of this project. The study of the project viability consist first of all on the modeling of the trough system, the energy balance of the parabolic troughs will be established at first. Secondly, and choosing a perfect solar day simulating a day when the solar radiation is rather stable, with no cloudy periods along the day, the power available from the trough plant can be calculated. Once we have estimated the power that we can introduce into the cycle of the tower plant, the main issue consists on how and where it is better to use this energy in the cycle. Several possibilities seem to be interesting a priori, however a more detailed study of each one is to be done in order to get to the most economic and efficient layout. The work related to the tower thermal power plant will be done taking as starting point the master thesis of James Spelling, who did an incredible work in this field and whose work will be a valuable help to continue the research on the proposed concept in this project of combining two plants, tower and trough. The main advantage of the tower design compared to the parabolic trough design is the higher temperature. As it will be explained further, thermal energy at higher temperature can be converted more efficiently, the exergy efficiency is better. In terms of storage, the high temperature results in a cheaper and a more efficient storage system. Nevertheless, the set up of the field of heliostats is more complex than the set up of the parabolic trough lines even though the area for a trough plant must be previously flattened. The lower temperature level that entails an inconvenient itself for a parabolic trough power plant may become an advantage when combining both types of concentrating solar power plants. If the results are positive enough that it seems interesting to combine both types of power plants, another step forward will be done towards the use of the sun energy as a renewable source thus making it a more interesting choice for power generation. Sun potential has already shown as an important technology not only at the present time but also in the future. Commercial solar plants have already achieved levelized energy costs around 12-15 UScts/kWh, and the potential for cost reduction is expected to follow this trend even further, to costs as low as 5 UScts/kWh. In addition the taxes imposed for the non-green power should make even more interesting the use of concentrating solar power plants. The requirements of high beam normal radiation lead to a limited amount of suitable places where the implantation of this technology is possible. However many places exist on Earth where the conditions are perfectly adapted, we talk about regions such as United States (the country with more carbon dioxide emissions in the world), some regions in Mexico, North Africa, India, Australia, northeastern Brazil and some locations around the Mediterranean, especially in the south of Spain. The challenge is therefore set for a change in our energy production scheme.

2010

Preliminary Study of a Solar Trough/Tower Power Plant

Jorge López Moreno

2010