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# Accepted Manuscripts

BASIC VIEW  |  EXPANDED VIEW
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042529
Several studies on wind energy have been conducted to find possible solutions to power issues related to the variable nature of the wind. One of the most promising seems to be the application of sinusoidal modifications (tubercles) on the leading edge of wind turbine blades. In the present work, a systematic study on the effects of different tubercle configurations on NREL Phase VI wind turbine performance is conducted. A Design of Experiment is used to generate blades with different tubercle amplitude and wavelength that are then simulated by a Computational Fluid Dynamics analysis. The resulting power and Annual Energy Production (AEP) are compared with the baseline values noticing a positive effect of tubercles on the power at high wind speeds.
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042530
In this paper, five biodiesel global combustion decomposition steps are added to a surrogate mechanism to accurately represent the chemical kinetics of the decomposition of different levels of saturation of biodiesel, which are represented by five major fatty acid methyl esters. The reaction constants were tuned based on the results from the numerical simulations of the combustion process in an ignition quality tester in order to obtain accurate cetane numbers. The prediction of the complete thermo-physical properties of the five constituents is also carried out to accurately represent the physics of the spray and vaporization processes. The results indicated that the combustion behavior is controlled more by the spray and breakup processes for saturated biodiesel constituents than by the chemical delay, which is similar to the diesel fuel combustion behavior. The chemical delay and low temperature reactions were observed to have greater effects on the combustion and ignition delay for the cases of the unsaturated biodiesel. The comparison between the physical ignition delay and overall ignition delay between the saturated and unsaturated biodiesel constituents has also confirmed those stronger effects for the physical delay in the saturated compounds as compared to the unsaturated compounds. The validation of the proposed model is conducted for the simulations of two direct injection diesel engines using the palm methyl ester and rape methyl ester.
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042532
Rate-Controlled Constrained-Equilibrium (RCCE) is a reduction technique used to describe the time evolution of complex chemical reacting systems. This method is based on the assumption that a nonequilibrium system can reach its final equilibrium state by a series of rate-controlled constrained-equilibrium states determined by maximizing entropy or minimizing relevant free energy. Those constraints are imposed by some small number of slow reactions. Much research has been done on this method and many RCCE models of C_1-C_4 hydrocarbon fuel combustion have been established by the previous researchers. Those models show good performance compared with the result of Detailed Kinetic Model (DKM). In this study RCCE method is further developed to model normal pentane (n-C_5 H_12) combustion with least number of constraints. The chemical mechanism for Detailed Kinetics Model (DKM) contains 133 species and 922 reactions. Two sets of constraints were found during the study: 1) 16 constraints for the normal pentane and pure oxygen mixture and 2) 14 constraints for the mixture of normal pentane and oxygen with argon as diluent. Results of the first constraint set were compared with result of DKM and results of the second constraint set were compared with those of DKM and experimental data by calculating their ignition delay times. Comparisons showed that the first set of constraints had relatively good accuracy and the second set of constraints agreed very well with the experimental data.
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042528
Drilling fluid with strong inhibition performance is crucial in drilling water-sensitive shale formations. An organic salt compound and polyamine were tested for their ability to inhibit shale swelling and dispersion, both individually and in combination. The linear shale swelling rate can be suppressed to less than 20% when the inhibitors are combined, and the hot rolling recovery rate of shale cuttings can improve up to 85%. The interlamellar spacing d001, zeta potential, particle size distribution, water activity, and adsorptive capacity of clays were tested to determine the suppression mechanism of the shale inhibitors. These results show that the organic salt YJS-2 functioned remarkably in crystal lattice fixation, electric double-layer compression, adjustment of water activity, and enhancement of polymer adsorption onto the clay particle surface. Polyamine can enter the clay mineral interlayer and compress the electric double-layer to some extent. It can also synergistically function with YJS-2. Therefore a combination of these two shale inhibitors worked synergistically to provide crystal lattice fixation, electric double-layer compression, water activity adjustment, adsorption on the surface of clay particles, and encapsulation.
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042416
Surge and swab pressure are two well-known parameters limiting velocity of pipe movement in various drilling operations. The detailed information about the effect of thermal conditions, fluid properties and measurement approach on surge pressure, however, has not been deeply addressed yet. This paper compares the behavior of surge pressure of sepiolite based mud against bottom-hole temperature for different salinities and rheological models (Herschel-Bulkley, Bingham Plastic, and Power Law). As a non-Newtonian fluid, seven samples of sepiolite based mud, a thermally stable drilling fluid, were used to measure their rheological constants by both a high pressure-high temperature (HTHP) dynamic rheometer and a classical viscometer. To calculate surge pressure, a computer code was developed in which the experimentally measured rheological constants and frictional pressure loss equations, available in the literature, were used as input data and governing equations, respectively. Surge pressures calculated based on viscometer's measurements were relatively higher than those based on rheometer measurements. Even though viscometer is usually used in field measurements the results of this study emphasize the privilege of using rheometer data to successfully predict surge pressure. In drilling fluids with NaCl intrusion, unlike viscometer, rheometer was able to catch the true behavior of surge pressure against temperature. This study also shows that fresh water sepiolite based mud delivers higher surge pressure compared to salt (NaCl) semi and fully saturated muds, but, no remarkable difference was observed between the results of semi-saturated and fully saturated sepiolite based muds.
TOPICS: Fluids, Drilling, Pressure, Surges, Rheometers, Rheology, Temperature, Thermal stability, Water, Non-Newtonian fluids, Pipes, Computers
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042480
This work is an experimental and computational study to investigate the effect of capacitive discharge ignition (CDI) on plasma kernel formation and flame propagation of air-propane mixture. This paper is mainly focused on the plasma formation and flame propagation characteristics, pressure rise, propagation time, velocity field and species concentrations. A conventional ignition system is used for comparison purpose. A constant volume combustion chamber with volume of 400 cm3 is designed for experimental study. This chamber is utilized to visualize the plasma formation as well as the flame propagation induced from two ignition sources. The experiments are performed in a wide range of operating conditions, i.e.: initial pressure of 2-4 bar, temperature of 300 K, chamber wall temperature of 350 K, spark plug gaps of 1.0-1.5 mm, discharge duration of 1 ms, discharge energy of 500 mJ and equivalence ratio of 0.5-1.0. The computational study is performed by ANSYS Fluent using the partially premixed combustion (PPC) model having the same conditions as experimental study. It is shown that the average peak pressure in CDI increased by 5.79%, 4.84% and 4.36% at initial pressures of 2, 3 and 4 bar, respectively comparing with conventional ignition. It could be determined that the impact of combustion pressure in CDI system is more significant than conventional ignition particularly in lean mixtures. Consequently, the flame propagation rate in CDI system, due to the large ionized kernel around the spark plug, can be significantly enhanced.
TOPICS: Plasmas (Ionized gases), Flames, Ignition, Pressure, Combustion, Temperature, Combustion chambers, Wall temperature, Ignition systems
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042448
With the development of petroleum industry, it needs an efficient drill method such as under balanced drilling (UBD) to enhance the rate of penetrate (ROP). However, borehole instability is a problem that must be faced in UBD. The coiled tubing partial underbalanced drilling has been proposed to try to solve this problem while keeping an underbalanced condition with high rate of penetration (ROP). This paper analyzes the laws of cuttings transport in the narrow annulus focus on this new technique through the simulations and experiments. From the results of simulations, it obtains that the particle velocity declines with the increase of rotational speed and increases with the increase of flow rate. The particles become concentrated as the flow rate increases and the high flow rate limits particles in a small area. The particle distribution undergoes a process of concentration, dispersion, and concentration as the rotational speed increases. The high rotational speed makes particles deviate from the high fluid velocity area, which causes low particle velocity. The relationships between particle velocity and rotational speed and between particle velocity and flow rate are fitted through the equations respectively. The phenomenons of collision of particles, sinking and rising of particles and variation of particle velocity are observed in the experiments. The particle velocity of experiments. The error between the particle velocity in the experiment and numerical simulation is less than 8.5%. This paper is an exploratory study conducted for the cuttings transport in narrow annulus.
TOPICS: Computer simulation, Annulus, Particulate matter, Flow (Dynamics), Drilling, Simulation, Tubing, Collisions (Physics), Engineering simulation, Petroleum industry, Fluids, Drills (Tools), Errors, Simulation results
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042449
In this study, we present an analytical approach based on rescaled exponential models that is able to analyze production data from oil/water systems producing under boundary-dominated flow conditions. The model is derived by coupling two-phase oil/water material balances with multiphase well deliverability equations. Nonlinearities introduced by relative permeability in multiphase oil/water systems are accounted for via depletion-dependent parameters applied to each the flowing phases. The study shows that So-Sw-p relationships based on Muskat's standard assumptions can be successfully deployed to correlate saturation and pressure changes of these two-phase systems without the need for user-provided surface production ratios or well-stream composition information. The validity of proposed model is verified by closely matching predictions against finely-gridded numerical models for cases constrained by both constant and variable bottomhole pressure production. In addition, a straight-line analysis protocol is structured to estimate the original oil and water in place on the basis of available production data using rescaled exponential models. Finally, we explore conditions for validity of the assumptions used in the proposed model, including the So-Sw-p formulation, by conducting extensive sensitivity analysis on input parameters.
TOPICS: Reservoirs, Water, Pressure, Flow (Dynamics), Permeability, Computer simulation, Sensitivity analysis
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042450
Wind turbine upgrades have recently been spreading in the wind energy industry for optimizing the efficiency of the wind kinetic energy conversion. These interventions have material and labor costs, therefore it is fundamental to estimate the production improvement realistically. Furthermore, the retrofitting of the wind turbines sited in complex environments might exacerbate the stress conditions to which those are subjected and consequently might affect the residual life. In this work, a two-step upgrade on a multi-megawatt wind turbine is considered from a wind farm sited in complex terrain. First, vortex generators and passive flow control devices have been installed. Second, the management of the revolutions per minute has been optimized. In this work, a general method is formulated for assessing the wind turbine power upgrades using operational data. The method is based on the study of the residuals between the measured power output and a judicious model of the power output itself, before and after the upgrade. Therefore, properly selecting the model is fundamental. For this reason, an automatic feature selection algorithm is adopted, based on the stepwise multivariate regression. This allows identifying the most meaningful input variables for a multivariate linear model whose target is the power of the upgraded wind turbine. For the test case of interest, the adopted upgrade is estimated to increase the annual energy production of the $2.6\%\pm 0.1\%$. The aerodynamic and control upgrades are estimated to be respectively 1.8\% and 0.8\% of the production improvement.
TOPICS: Optimization, Vortices, Computation, Generators, Wind turbines, Wind, Wind farms, Feature selection, Flow control, Wind energy, Kinetic energy, Stress, Algorithms, Energy generation
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042451
Residential energy consumption constitutes a significant portion of the overall energy consumption. There are significant amount of studies that target to reduce this consumption, and these studies mainly create mathematical models to represent and regenerate the energy consumption of individual houses. Most of these models assume that the residential energy consumption can be classified and then predicted based on the household size. As a result, most of the previous studies suggest that household size can be treated as an independent variable which can be used to predict energy consumption. In this work, we test this hypothesis on a large residential energy consumption dataset that also includes demographic information. Our results show that other variables like income, geographic location, house type, and personal preferences strongly impact energy consumption and decrease the importance of household size because the household size can explain only 26.55% of the electricity consumption variation across the houses.
TOPICS: Energy consumption, Residential construction, Preferences, Locations
Discussion
J. Energy Resour. Technol   doi: 10.1115/1.4042447
The exploitation of wind turbines in complex terrain has recently been growing. The comprehension of wind flow, especially in the downstream area, is by itself a challenging task in complex terrain: even more so, it is difficult to account for the mixing between terrain effects and the wake interactions between nearby turbines. Efficiency is one of the simplest and meaningful metrics for quantifying the impact of wakes on wind farm production, but its definition is well established basically only for offshore wind farms. In this work, the definition of wind farm efficiency is therefore discussed, basing on the critical points arising in complex terrain, where there can be at the same time a considerable variation of free wind flow along the layout and a directional distortion of the wakes, induced by the terrain. In this work, operational data of a test case wind farm sited in a very complex terrain, featuring seventeen multi-megawatt wind turbines, are elaborated and inspire a discussion and a novel definition of efficiency, that restores in the complex terrain case the meaning of the efficiency.
TOPICS: Wind farms, Wakes, Flow (Dynamics), Wind, Wind turbines, Ocean engineering, Turbines
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042413
Reservoir characterization is a process to make dependable reservoir models using available reservoir information. There are promising ensemble-based methods such as ensemble Kalman filter(EnKF), ensemble smoother(ES), and ensemble smoother with multiple data assimilation(ES-MDA). ES-MDA is an iterative version of ES with inflated covariance matrix of measurement errors. It provides efficient and consistent global updates compared to EnKF and ES. Ensemble-based methods might not work properly for channel reservoirs because its parameters are highly non-Gaussian. Thus, various parameterization methods are suggested in previous studies to handle non-linear and non-Gaussian parameters. Discrete cosine transform(DCT) can figure out essential channel information, whereas level set method(LSM) has advantages on detailed channel border analysis in grid scale transforming parameters into Gaussianity. However, DCT or LSM have weaknesses when they are applied separately on channel reservoirs. Therefore, we propose a properly designed combination algorithm using DCT and LSM in ES-MDA. When DCT and LSM agree with each other on facies update results, a grid has relevant facies naturally. If not, facies is assigned depending on the average facies probability map from DCT and LSM. By doing so, they work in supplementary way preventing from wrong or biased decision on facies. Consequently, the proposed method presents not only stable channel properties such as connectivity and continuity but also similar pattern with the true. It also gives trustworthy future predictions of gas and water productions due to well-matched facies distribution according to the reference.
TOPICS: Reservoirs, Algorithms, Errors, Kalman filters, Probability, Water
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042415
In this paper, a parabolic trough solar collector (PTSC) plant is combined with a liquid air energy storage (LAES) system. The genetic algorithm (GA) is used to optimize the proposed system for different air storage mass flow rates. The roundtrip exergy efficiency is considered as the objective function and pressures of six points and mass flow rates of five points are considered as design parameters. The effects of some environmental and key parameters such as different radiation intensities, different ambient temperatures, different output pressures of the second compressor and different mass flow rates of the collectors fluid on the exergy efficiency are investigated. The results revealed that the system could produce 17526.15 kJ/s power in high demands time and 2233.48 kJ/s power in low demands time and the system shows a value of 15.13% round trip exergy efficiency is achievable. Furthermore, the exergy efficiency decreased by increasing the air storage mass flow rate (the efficiency is decreased by 5.1% when the air storage mass flow rate increased from 10 to 15 kg/s). Furthermore, the exergy efficiency decreases by increasing the collectors inside fluid mass flow rate or by decreasing radiation intensity.
TOPICS: Energy storage, Optimization, Power stations, Solar collectors, Exergy, Parabolic troughs, Flow (Dynamics), Storage, Fluids, Radiation (Physics), Compressors, Temperature, Genetic algorithms, Design
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042414
In the current situation of sustainable development, particularly in the context of research on new sources of energy that do not emit greenhouse gases, wind turbines appear to be a clean and renewable energy production solution. The problem of design of wind turbine blades has been addressed in this research work. To obtain an optimal design of a wind turbine blade, taking into account all the structural properties and the limiting conditions applied as close as possible to real cases, we divided our study into two stages: aerodynamic design (maximizing annual energy for a given wind speed distribution and optimum power control are met), and structural design, where objectives (fatigue and extreme load resistance, minimize weight and cost, and avoid Resonances and blade/tower collisions) must be respected. On the other hand we developed a series of calculations for the design of composite offshore wind turbine blade. Therefore we are going to define the design in terms of parameters that can be modified later for optimization.
TOPICS: Composite materials, Design, Optimization, Blades, Offshore wind turbines, Wind turbines, Renewable energy, Structural design, Wind velocity, Stress, Collisions (Physics), Mechanical properties, Weight (Mass), Resonance, Fatigue, Gases, Sustainable development
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042400
Abstract: Compressed air energy storage (CAES) is an effective energy storage technology to solve the instability of wind power in distributed energy resources. In this study, a multistage adiabatic CAES (A-CAES) system optimization model was constructed considering the dynamic performance of the air storage process. The round trip efficiency of A-CAES system was optimized by differential evolution (DE) algorithm, and decision variables were the pressure ratio of each compressor/expander. The variation of the pressure ratio of each compressor/expander leads to different inlet air temperature of the heat exchanger. Thus, the optimization method provides more heat energy recovery from compression to increase the inlet air temperature of expanders. Results indicate that the optimization method is effective for the pressure ratio allocation, improving the system efficiency by ?1% and exergy efficiency of the heat storage process by 5.3% to the maximum compared with an equal pressure ratio distribution A-CAES system. Besides, a uniformity factor of temperature difference (UFTD) of multistage heat exchangers is proposed to analyze the temperature uniformity of the multistage heat exchangers, which indicates that decreasing the UFTD leads to an increased uniformity of the temperature field and to an improvement in heat transfer efficiency. The study is extended onto optimal off-design system configuration and the recommendations are proposed, which provides a guidance for A-CAES system design.
TOPICS: Pressure, Optimization, Energy storage, Compressed air, Temperature, Heat exchangers, Compressors, Design, Energy recovery, Exergy, Algorithms, Heat transfer, Heat storage, Heat, Compression, Distributed power generation, Storage, Wind power, Temperature uniformity, System efficiency
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042401
The international trend of using renewable energy sources for generating electricity is increasing, partly through harvesting energy from wind turbines. Increasing electric power transmission efficiency is achievable through using real-time weather data for power line rating, known as Real-Time Thermal Rating (RTTR), instead of using the worst case scenario weather data, known as static rating. RTTR is particularly important for wind turbine connections to the grid, as wind power output and overhead conductor rating both increase with increasing wind speed. Part of the real-time weather data is the effect of free-stream turbulence, which is not considered by the commonly used overhead conductor codes, Institute of Electrical and Electronics Engineers (IEEE) 738 and International Council on Large Electric Systems (CIGRÉ) 207. This study aims to assess the effect free-stream turbulence on IEEE 738 and CIGRÉ 207 forced cooling term. The study uses Large Eddy Simulation in the ANSYS Fluent software. The analysis is done for low wind speed, corresponding to Reynolds Number of 3,000. The primary goal is to calculate Nusselt Number for cylindrical conductors with free-stream turbulence. Calculations showed an increase in convective heat transfer from the low turbulence value by ~30 % at turbulence intensity of 21% and length scale to diameter ratio of 0.4; an increase of ~19 % at turbulence intensity of 8% and length scale to diameter ratio of 0.4; and an increase of ~15 % at turbulence intensity of 6% and length scale to diameter ratio of 0.6.
TOPICS: Cooling, Turbulence, Large eddy simulation, Wind turbines, Wind velocity, Reynolds number, Electric power transmission, Convection, Computer software, Electric power generation, Electronic systems, Renewable energy sources, Wind power, Electronics engineers
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042402
This paper presents the feasibility and economics of using fuel cell backup power systems in telecommunication cell towers to provide grid services (e.g., ancillary services, demand response). The fuel cells can provide power for the cell tower during emergency conditions. This study evaluates the strategic integration of clean, efficient, and reliable fuel cell systems with the grid for improved economic benefits. The backup systems have potential to enhance capability through information exchanges with the power grid to add value as grid services that depend on location and time. The economic analysis has been focused on the potential revenue for distributed telecommunications fuel cell backup units to provide value-added power supply. This paper shows case studies on current fuel cell backup power locations and regional grid service programs. The grid service benefits and system configurations for different operation modes provide opportunities for expanding backup fuel cell applications responsive to grid needs. The objective of this work primarily focuses on how fuel cells can become a significant part of the telecom backup power fleet to reduce system costs, environmental impact, and dependence on fossil fuels, while ensuring continuity of indispensable service for mobile users. The study identifies different fuel cell applications and nano/microgrid approaches for an extensive network of fuel cells as distributed energy resources. The possibilities of various application scenarios extend to fuel cell technologies and microgrids for reliable power supply.
TOPICS: Fuel cells, Microgrids, Telecommunications, Emergency power, Fuel cell applications, Fuel cell technology, Emergencies, Distributed power generation, Economic analysis, Fossil fuels, Power grids, Economics
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042403
The short-cycling operation of a heat pump decreases energy consumption efficiency. Short-cycling operations of GSHP (Ground Source Heat Pump System) occur when the ON / OFF control of a heat pump is used a partial load condition. It is considered effective that GSHP with capacity controls installs to suppress short-cycling operations. However, there is no report on any continuous operations by capacity control GSHP in actual operations. We confirmed that GSHP (water to water) with capacity control operates short-cycling in the residence. Short-cycling operations were occurred a sudden load fluctuation due to opening or closing of the valves. We conducted effective verification experiments of the thermal storage device at the artificial heat load fluctuations condition. When the thermal storage device installed upstream brine circulation line of the heat pump with the capacity control, continuous operations are performed. It was under the condition at the heating heat load of 5 kW is turned ON / OFF every 20 minutes. In this case, energy consumption efficiency of a heat pump is 13% higher than the efficiency without the thermal storage device.
TOPICS: Heat pumps, Thermal energy storage, Stress, Heat, Energy consumption, Water, Heating, Fluctuations (Physics), Valves
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042404
With the increasing demand for clean energy, offshore wind power is developing rapidly. But compared to onshore situation, the working environment at sea is very complicated. In order to ensure the stable operation of generators, higher requirements are put forward for the capability of offshore wind power structures to resist wind and waves. This paper proposes a new combined vibration suppressing device, which can be used to suppress the swaying vibration of off-shore floating wind generator under waves. The floating wind power station tower was modeled, the wave force and the torsion force of the tower were analyzed and the FSI numerical simulation was carried out. The calculation results demonstrate that the amplitudes of the tower torsion angle have been attenuated by 8%, 11% and 17% with different vibration suppression devices which are TMD, TLD and new combined device. In this case the new combined device has the best vibration suppression performance. It is validated that compared to the other two single vibration suppression devices, the new combined device has better vibration suppression capacity and a new way is provided to design the vibration suppression device for off shore floating wind power station.
TOPICS: Ocean engineering, Vibration suppression, Generators, Wind, Wind power, Vibration, Waves, Torsion, Design, Computer simulation, Renewable energy, Fluid structure interaction, Seas, Wave forces
research-article
J. Energy Resour. Technol   doi: 10.1115/1.4042405
When hydrogen is produced from a biomass or coal gasifier, it is necessary to purify it from syngas streams containing components such as CO, CO2, N2, CH4, and other products. Therefore, a challenge related to hydrogen purification is the development of hydrogen-selective membranes that can operate at elevated temperatures and pressures, provide high fluxes, long operational lifetime, and resistance to poisoning while still maintaining reasonable cost. Palladium based membranes have been shown to be well suited for these types of high-temperature applications and have been widely utilized for hydrogen separation. Palladium's unique ability to absorb a large quantity of hydrogen can also be applied in various clean energy technologies, like hydrogen fuel cells. In this paper, a fully analytical interatomic Embedded Atom Method (EAM) potential for the Pd-H system has been developed, that is easily extendable to ternary Palladium based hydride systems such as Pd-Cu-H and Pd-Ag-H. The new potential has fewer fitting parameters than previously developed EAM Pd-H potentials and is able to accurately predict the cohesive energy, lattice constant, bulk modulus, elastic constants, melting temperature, and the stable Pd-H structures in molecular dynamics (MD) simulations with various hydrogen concentrations. The EAM potential also well predicts the miscibility gap, the segregation of the palladium hydride system into dilute (a) and concentrated (ß) phases.
TOPICS: Biomass, Syngas, Palladium, Hydrogen, Membranes, Temperature, Atoms, Separation (Technology), Flux (Metallurgy), Simulation, Melting, Molecular dynamics, Coal, Engineering simulation, Fuel cells, Renewable energy, High temperature, Bulk modulus, Carbon dioxide, Elastic constants, Fittings, Methane