Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Quality Properties of Fermented Mugworts and Rapid Pattern Analysis of Their Volatile Flavor Components by Electric Nose Based On SAW (Surface Acoustic Wave) Sensor in GC System

The changes in quality properties and nutritional components in two fermented mugworts (Artemisia capillaries Thumberg, Artemisiaeasiaticae Nakai) were characterized followed by the rapid pattern analysis of volatile flavor compounds by Electric Nose based on SAW(Surface Acoustic Wave) sensor in GC system. There were remarkable decreases in the pH and small changes in the total soluble solids after fermentation. The L (lightness) and b (yellowness) values in Hunter's color system were shown to be decreased, whilst the a (redness) value was increased by fermentation. The HPLC analysis demonstrated that total amino acids were increased in quantity and the essential amino acids were contained higher in A. asiaticaeNakai than in A. capillaries Thumberg. While the total polyphenol contents were not affected by fermentation, the total sugar contents were dramatically decreased. Scopoletinwere highly abundant in A. capillarisThumberg, however, it was not detected in A. asiaticaeNakai. Volatile flavor compounds by Electric Nose showed that the intensity of several peaks were increased much and seven additional flavor peaks were newly produced after fermentation. The flavor differences of two mugworts were clearly distinguished from the image patterns of VaporPrintTM which indicate that the fermentation enables the two mugworts to have subtle flavor differences.

Entropy Generation Analysis of Free Convection Film Condensation on a Vertical Ellipsoid with Variable Wall Temperature

This paper aims to perform the second law analysis of thermodynamics on the laminar film condensation of pure saturated vapor flowing in the direction of gravity on an ellipsoid with variable wall temperature. The analysis provides us understanding how the geometric parameter- ellipticity and non-isothermal wall temperature variation amplitude “A." affect entropy generation during film-wise condensation heat transfer process. To understand of which irreversibility involved in this condensation process, we derived an expression for the entropy generation number in terms of ellipticity and A. The result indicates that entropy generation increases with ellipticity. Furthermore, the irreversibility due to finite temperature difference heat transfer dominates over that due to condensate film flow friction and the local entropy generation rate decreases with increasing A in the upper half of ellipsoid. Meanwhile, the local entropy generation rate enhances with A around the rear lower half of ellipsoid.

A Comparative Study of Vapour Compression Heat Pump Systems under Air to Air and Air to Water Mode

This research evaluated and compared the thermodynamic performance of heat pump systems which can be run under two different modes as air to air and air to water by using only one compressor. To achieve this comparison an experimental performance study was made on a traditional vapor compressed heat pump system that can be run air to air mode and air to water mode by help of a valve. The experiments made under different thermal conditions. Thermodynamic performance of the systems are presented and compared with each other for different working conditions.

Profile Controlled Gold Nanostructures Fabricated by Nanosphere Lithography for Localized Surface Plasmon Resonance

Localized surface plasmon resonance (LSPR) is the coherent oscillation of conductive electrons confined in noble metallic nanoparticles excited by electromagnetic radiation, and nanosphere lithography (NSL) is one of the cost-effective methods to fabricate metal nanostructures for LSPR. NSL can be categorized into two major groups: dispersed NSL and closely pack NSL. In recent years, gold nanocrescents and gold nanoholes with vertical sidewalls fabricated by dispersed NSL, and silver nanotriangles and gold nanocaps on silica nanospheres fabricated by closely pack NSL, have been reported for LSPR biosensing. This paper introduces several novel gold nanostructures fabricated by NSL in LSPR applications, including 3D nanostructures obtained by evaporating gold obliquely on dispersed nanospheres, nanoholes with slant sidewalls, and patchy nanoparticles on closely packed nanospheres, all of which render satisfactory sensitivity for LSPR sensing. Since the LSPR spectrum is very sensitive to the shape of the metal nanostructures, formulas are derived and software is developed for calculating the profiles of the obtainable metal nanostructures by NSL, for different nanosphere masks with different fabrication conditions. The simulated profiles coincide well with the profiles of the fabricated gold nanostructures observed under scanning electron microscope (SEM) and atomic force microscope (AFM), which proves that the software is a useful tool for the process design of different LSPR nanostructures.

Exergy Analysis of a Solar Humidification- Dehumidification Desalination Unit

This paper presents the exergy analysis of a desalination unit using humidification-dehumidification process. Here, this unit is considered as a thermal system with three main components, which are the heating unit by using a solar collector, the evaporator or the humidifier, and the condenser or the dehumidifier. In these components the exergy is a measure of the quality or grade of energy and it can be destroyed in them. According to the second law of thermodynamics this destroyed part is due to irreversibilities which must be determined to obtain the exergetic efficiency of the system. In the current paper a computer program has been developed using visual basic to determine the exergy destruction and the exergetic efficiencies of the components of the desalination unit at variable operation conditions such as feed water temperature, outlet air temperature, air to feed water mass ratio and salinity, in addition to cooling water mass flow rate and inlet temperature, as well as quantity of solar irradiance. The results obtained indicate that the exergy efficiency of the humidifier increases by increasing the mass ratio and decreasing the outlet air temperature. In the other hand the exergy efficiency of the condenser increases with the increase of this ratio and also with the increase of the outlet air temperature.

An Investigation on the Effects of Injection Spray Cone on Propulsive Droplets in a Duct

This paper addresses one important aspect of combustion system analysis, the spray evaporation and dispersion modeling. In this study we assume an empty cylinder which is as a simulator for a ramjet engine and the cylinder has been studied by cold flow. Four nozzles have the duties of injection which are located in the entrance of cylinder. The air flow comes into the cylinder from one side and injection operation will be done. By changing injection velocity and entrance air flow velocity, we have studied droplet sizing and efficient mass fraction of fuel vapor near and at the exit area. We named the mass of fuel vapor inside the flammability limit as the efficient mass fraction. Further, we decreased the initial temperature of fuel droplets and we have repeated the investigating again. To fulfill the calculation we used a modified version of KIVA-3V.

Comparison of Different Gas Turbine Inlet Air Cooling Methods

Gas turbine air inlet cooling is a useful method for increasing output for regions where significant power demand and highest electricity prices occur during the warm months. Inlet air cooling increases the power output by taking advantage of the gas turbine-s feature of higher mass flow rate when the compressor inlet temperature decreases. Different methods are available for reducing gas turbine inlet temperature. There are two basic systems currently available for inlet cooling. The first and most cost-effective system is evaporative cooling. Evaporative coolers make use of the evaporation of water to reduce the gas turbine-s inlet air temperature. The second system employs various ways to chill the inlet air. In this method, the cooling medium flows through a heat exchanger located in the inlet duct to remove heat from the inlet air. However, the evaporative cooling is limited by wet-bulb temperature while the chilling can cool the inlet air to temperatures that are lower than the wet bulb temperature. In the present work, a thermodynamic model of a gas turbine is built to calculate heat rate, power output and thermal efficiency at different inlet air temperature conditions. Computational results are compared with ISO conditions herein called "base-case". Therefore, the two cooling methods are implemented and solved for different inlet conditions (inlet temperature and relative humidity). Evaporative cooler and absorption chiller systems results show that when the ambient temperature is extremely high with low relative humidity (requiring a large temperature reduction) the chiller is the more suitable cooling solution. The net increment in the power output as a function of the temperature decrease for each cooling method is also obtained.

Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) Parameters for Propane, Ethylene, and Hydrogen under Supercritical Conditions

Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) equation of state (EOS) is a modified SAFT EOS with three pure component specific parameters: segment number (m), diameter (σ) and energy (ε). These PC-SAFT parameters need to be determined for each component under the conditions of interest by fitting experimental data, such as vapor pressure, density or heat capacity. PC-SAFT parameters for propane, ethylene and hydrogen in supercritical region were successfully estimated by fitting experimental density data available in literature. The regressed PCSAFT parameters were compared with the literature values by means of estimating pure component density and calculating average absolute deviation between the estimated and experimental density values. PC-SAFT parameters available in literature especially for ethylene and hydrogen estimated density in supercritical region reasonably well. However, the regressed PC-SAFT parameters performed better in supercritical region than the PC-SAFT parameters from literature.

Techno-Economics Study to Select Optimum Desalination Plant for Asalouyeh Combined Cycle Power Plant in Iran

This research deals with techno economic analysis to select the most economic desalination method for Asalouyeh combined cycle power plant . Due to lack of fresh water, desalination of sea water is necessary to provide required DM water of Power Plant. The most common desalination methods are RO, MSF, MED, and MED–TVC. In this research, methods of RO, MED, and MED– TVC have been compared. Simulation results show that recovery of heat of exhaust gas of main stack is optimum case for providing DM water required for injected steam of MED desalination. This subject is very important because of improving thermal efficiency of power plant using extra heat recovery. Also, it has been shown that by adding 3 rows of finned tube to de-aerator evaporator, which is very simple and low cost, required steam for generating 5200 m3/day of desalinated water is obtainable.

Influence of Flash Temperature on Exergetical Performance of Organic Flash Cycle

Organic Flash Cycle (OFC) has potential of improving efficiency for recovery of low temperature heat sources mainly due to reducing temperature mismatch in the heat exchanger. In this work exergetical performance analysis of ORC is conducted for recovery of low grade heat source. Effects of system parameters such as flash evaporation temperature or heating temperature are theoretically investigated on the exergy destructions (anergies) at various components of the system as well as exergy efficiency. Results show that exergy efficiency has a peak with respect to the flash temperature, and the optimum flash temperature increases with the heating temperature. The component where the largest exergy destruction occurs varies with the flash temperature or heating temperature.

Modeling the Vapor Pressure of Biodiesel Fuels

The composition, vapour pressure, and heat capacity of nine biodiesel fuels from different sources were measured. The vapour pressure of the biodiesel fuels is modeled assuming an ideal liquid phase of the fatty acid methyl esters constituting the fuel. New methodologies to calculate the vapour pressure and ideal gas and liquid heat capacities of the biodiesel fuel constituents are proposed. Two alternative optimization scenarios are evaluated: 1) vapour pressure only; 2) vapour pressure constrained with liquid heat capacity. Without physical constraints, significant errors in liquid heat capacity predictions were found whereas the constrained correlation accurately fit both vapour pressure and liquid heat capacity.

Molecular Dynamics Simulation of Lubricant Adsorption and Thermal Depletion Instability

In this work, we incorporated a quartic bond potential into a coarse-grained bead-spring model to study lubricant adsorption on a solid surface as well as depletion instability. The surface tension density and the number density profiles were examined to verify the solid-liquid and liquid-vapor interfaces during heat treatment. It was found that both the liquid-vapor interfacial thickness and the solid-vapor separation increase with the temperatureT* when T*is below the phase transition temperature Tc *. At high temperatures (T*>Tc *), the solid-vapor separation decreases gradually as the temperature increases. In addition, we evaluated the lubricant weight and bond loss profiles at different temperatures. It was observed that the lubricant desorption is favored over decomposition and is the main cause of the lubricant failure at the head disk interface in our simulations.

Artificial Neural Network based Modeling of Evaporation Losses in Reservoirs

An Artificial Neural Network based modeling technique has been used to study the influence of different combinations of meteorological parameters on evaporation from a reservoir. The data set used is taken from an earlier reported study. Several input combination were tried so as to find out the importance of different input parameters in predicting the evaporation. The prediction accuracy of Artificial Neural Network has also been compared with the accuracy of linear regression for predicting evaporation. The comparison demonstrated superior performance of Artificial Neural Network over linear regression approach. The findings of the study also revealed the requirement of all input parameters considered together, instead of individual parameters taken one at a time as reported in earlier studies, in predicting the evaporation. The highest correlation coefficient (0.960) along with lowest root mean square error (0.865) was obtained with the input combination of air temperature, wind speed, sunshine hours and mean relative humidity. A graph between the actual and predicted values of evaporation suggests that most of the values lie within a scatter of ±15% with all input parameters. The findings of this study suggest the usefulness of ANN technique in predicting the evaporation losses from reservoirs.

Amplification of Compression Waves in Clean and Bubbly Liquid

The theoretical investigation is carried out to describe the effect of increase of pressure waves amplitude in clean and bubbly liquid. The goal of the work is to capture the regime of multiple magnification of acoustic and shock waves in the liquid, which enables to get appropriate conditions to enlarge collapses of micro-bubbles. The influence of boundary conditions and frequency of the governing acoustic field is studied for the case of the cylindrical acoustic resonator. It has been observed the formation of standing waves with large amplitude at resonant frequencies. The interaction of the compression wave with gas and vapor bubbles is investigated for the convergent channel. It is shown theoretically that the chemical reactions, which occur inside gas bubbles, provide additional impulse to the wave, that affect strongly on the collapses of the vapor bubbles

Study of Temperature Changes in Fars Province

Climate change is a phenomenon has been based on the available evidence from a very long time ago and now its existence is very probable. The speed and nature of climate parameters changes at the middle of twentieth century has been different and its quickness more than the before and its trend changed to some extent comparing to the past. Climate change issue now regarded as not only one of the most common scientific topic but also a social political one, is not a new issue. Climate change is a complicated atmospheric oceanic phenomenon on a global scale and long-term. Precipitation pattern change, fast decrease of snowcovered resources and its rapid melting, increased evaporation, the occurrence of destroying floods, water shortage crisis, severe reduction at the rate of harvesting agricultural products and, so on are all the significant of climate change. To cope with this phenomenon, its consequences and events in which public instruction is the most important but it may be climate that no significant cant and effective action has been done so far. The present article is included a part of one surrey about climate change in Fars. The study area having annually mean temperature 14 and precipitation 320 mm .23 stations inside the basin with a common 37 year statistical period have been applied to the meteorology data (1974-2010). Man-kendal and change factor methods are two statistical methods, applying them, the trend of changes and the annual mean average temperature and the annual minimum mean temperature were studied by using them. Based on time series for each parameter, the annual mean average temperature and the mean of annual maximum temperature have a rising trend so that this trend is clearer to the mean of annual maximum temperature.

Influence of Thermal Annealing on The Structural Properties of Vanadyl Phthalocyanine Thin Films: A Comparative Study

This paper presents a comparative study on Vanadyl Phthalocyanine (VOPc) thin films deposited by thermal evaporation and spin coating techniques. The samples were prepared on cleaned glass substrates and annealed at various temperatures ranging form 95oC to 155oC. To obtain the morphological and structural properties of VOPc thin films, X-ray diffraction (XRD) technique and atomic force microscopy (AFM) have been implied. The AFM topographic images show a very slight difference in the thermally grown films, before and after annealing, however best results are achieved for the spin-cast film annealed at 125oC. The XRD spectra show no existence of the sharp peaks, suggesting the material to be amorphous. The humps in the XRD patterns indicate the presence of some crystallites.

Natural Gas Dehydration Process Simulation and Optimization: A Case Study of Khurmala Field in Iraqi Kurdistan Region

Natural gas is the most popular fossil fuel in the current era and future as well. Natural gas is existed in underground reservoirs so it may contain many of non-hydrocarbon components for instance, hydrogen sulfide, nitrogen and water vapor. These impurities are undesirable compounds and cause several technical problems for example, corrosion and environment pollution. Therefore, these impurities should be reduce or removed from natural gas stream. Khurmala dome is located in southwest Erbil-Kurdistan region. The Kurdistan region government has paid great attention for this dome to provide the fuel for Kurdistan region. However, the Khurmala associated natural gas is currently flaring at the field. Moreover, nowadays there is a plan to recover and trade this gas and to use it either as feedstock to power station or to sell it in global market. However, the laboratory analysis has showed that the Khurmala sour gas has huge quantities of H2S about (5.3%) and CO2 about (4.4%). Indeed, Khurmala gas sweetening process has been removed in previous study by using Aspen HYSYS. However, Khurmala sweet gas still contents some quintets of water about 23 ppm in sweet gas stream. This amount of water should be removed or reduced. Indeed, water content in natural gas cause several technical problems such as hydrates and corrosion. Therefore, this study aims to simulate the prospective Khurmala gas dehydration process by using Aspen HYSYS V. 7.3 program. Moreover, the simulation process succeeded in reducing the water content to less than 0.1ppm. In addition, the simulation work is also achieved process optimization by using several desiccant types for example, TEG and DEG and it also study the relationship between absorbents type and its circulation rate with HCs losses from glycol regenerator tower.

Isobaric Vapor-Liquid Equilibrium of Binary Mixture of Methyl Acetate with Isopropylbenzene at 97.3 kPa

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixture of Methyl acetate and Isopropylbenzene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows positive deviation from ideality and does not form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency tests of Herington and Black. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. A comparison of the values of activity coefficients obtained by experimental data with the UNIFAC model has been made.

Failure Analysis of Methanol Evaporator

Thermal water hammer is a special type of water hammer which rarely occurs in heat exchangers. In biphasic fluids, if steam bubbles are surrounded by condensate, regarding lower condensate temperature than steam, they will suddenly collapse. As a result, the vacuum caused by an extreme change in volume lead to movement of the condensates in all directions and their collision the force produced by this collision leads to a severe stress in the pipe wall. This phenomenon is a special type of water hammer. According to fluid mechanics, this phenomenon is a particular type of transient flows during which abrupt change of fluid leads to sudden pressure change inside the tube. In this paper, the mechanism of abrupt failure of 80 tubes of 481 tubes of a methanol heat exchanger is discussed. Initially, due to excessive temperature differences between heat transfer fluids and simultaneous failure of 80 tubes, thermal shock was presupposed as the reason of failure. Deeper investigation on cross-section of failed tubes showed that failure was, ductile type of failure, so the first hypothesis was rejected. Further analysis and more accurate experiments revealed that failure of tubes caused by thermal water hammer. Finally, the causes of thermal water hammer and various solutions to avoid such mechanism are discussed.