Optimizing thermal performances and NOx emission in a premixed ammonia-hydrogen blended meso-scale combustor for thermophotovoltaic applications

As a carbon-free energy carrier, ammonia has attracted significant interest in the combustion field as a potential substitute for fossil fuels. However, the focus has been given to the application at meso-scale conditions, particularly with regard to thermal performance and NO_x emissions. Therefore, the present study numerically investigates a 3-dimensional time-domain premixed ammonia/oxygen meso-scale combustor to optimize its' thermal performance and NO_x emission for power generation applications. The numerical model is firstly validated by using experimental data available in the literature. Then, the effects of 1) the inlet pressure (P_in), 2) the equivalence ratio, and 3) the hydrogen blended ratio on the temperature uniformity, the combustor outer wall mean temperature (OWMT), NO emission, and exergy efficiency are examined. The results indicate that increasing P_in intensifies the mixing process of the mixture gases, thus reducing the residence time for the high-temperature flame in the combustion chamber. The optimized OWMT and NO emissions are up to 26% and 40.3% respectively, with only 9% compensation of the standard deviation achieved, when the inlet velocity is set to 0.5 m/s and P_in is 3.0 bar. Furthermore, varying the equivalence ratio in the range of 0.95–1.1 has a minor influence on improving thermal performances, but a significant impact on mitigating the NO_x emission performance. Additionally, blending less than 15% hydrogen has a significant reduction in the maximum NO_x emission (up to 53%); however, the influence on the OWMT can be neglected. Further exergy analysis reveals that elevating P_in results in a decrease in the exergy efficiency due to the increased inlet exergy. In general, this work provides a preliminary method for improving the thermal performance and NO_x emission of an ammonia/hydrogen-oxygen-fueled meso-scale combustor for power generation purpose.     

Sorption‐Enhanced Steam Reforming of Ethanol: Thermodynamic Comparison of CO2 Sorbents

A thermodynamic analysis is performed with a Gibbs free energy minimization method to compare the conventional steam reforming of ethanol (SRE) process and sorption‐enhanced SRE (SE‐SRE) with three different sorbents, namely, CaO, Li₂ZrO₃, and hydrotalcite‐like compounds (HTlc). As a result, the use of a CO₂ adsorbent can enhance the hydrogen yield and provide a lower CO content in the product gas at the same time. The best performance of SE‐SRE is found to be at 500 °C with an HTlc sorbent. Nearly 6 moles hydrogen per mole ethanol can be produced, when the CO content in the vent stream is less than 10 ppm, so that the hydrogen produced via SE‐SRE with HTlc sorbents can be directly used for fuel cells. Higher pressures do not favor the overall SE‐SRE process due to lower yielding of hydrogen, although CO₂ adsorption is enhanced.     

Thermodynamics of hydrogen production from urea by steam reforming with and without in situ carbon dioxide sorption

The thermodynamic effects of molar steam to carbon ratio (S:C), of pressure, and of having CaO present on the H₂ yield and enthalpy balance of urea steam reforming were investigated. At a S:C of 3 the presence of CaO increased the H₂ yield from 2.6 mol H₂/mol urea feed at 940 K to 2.9 at 890 K, and decreased the enthalpy of bringing the system to equilibrium. A minimum enthalpy of 180.4 kJ was required to produce 1 mol of H₂ at 880 K. This decreased to 94.0 kJ at 660 K with CaO-based CO₂ sorption and, when including a regeneration step of the CaCO₃ at 1170 K, to 173 kJ at 720 K. The presence of CaO allowed widening the range of viable operation at lower temperature and significantly inhibited carbon formation. The feasibility of producing H₂ from renewable urea in a low carbon future is discussed.     

Thermodynamic assessment of hydrogen production and cobalt oxidation susceptibility under ethanol reforming conditions

A comparative thermodynamic analysis of ethanol reforming reactions was conducted using an in-house code. Equilibrium compositions were estimated using the Lagrange multipliers method, which generated systems of non-linear algebraic equations, solved numerically. Effects of temperature, pressure and steam to ethanol, O₂ to ethanol and CO₂ to ethanol ratios on the equilibrium compositions were evaluated. The validation was done by comparing these data with experimental literature. The results of this work proved to be useful to foresee whether the experimental results follow the stoichiometry of the reactions involved in each process. Mole fractions of H₂ and CO₂ proved to be the most reliable variables to make this type of validation. Maximization of H₂ mole fraction was attained between 773 and 873 K, but maximum net mole production of H₂ was only achieved at higher temperatures (>1123 K). This work also advances in the thermodynamics of solid-gas phase interactions. A solid phase thermodynamic analysis was performed to confirm that Co⁰ formation from CoO is spontaneous under steam reforming conditions. The results showed that this reduction process occurs only for temperatures higher than 430 K. It was also found that once reduced, Co based catalysts will never oxidize back to Co₃O₄.     

Some guidelines for thermodynamic optimisation of phase diagrams

Thermodynamic optimisation of phase diagrams is a procedure that requires considerable experience and skill. The purpose of this article is to furnish certain guidelines that might facilitate the work and improve the quality of the thermodynamic optimisation of phase diagrams using the Calphad method. Some particulars regarding experimental data, Gibbs energy models, constraints on model parameters, and performing the optimisation are discussed.     

INTERFACIAL ADSORPTION OF 2-HYDROXY-5-NONYLBENZOPHENONE OXIME IN STATIC AND VIGOROUSLY STIRRED DISTRIBUTION SYSTEMS

ABSTRACT

The interfacial adsorption of 2-hydroxy-5-nonylbenzo-phenone oxime (LIX65N) at a n-heptane/water interphase was examined under static and vigorously stirred conditions, varying the aqueous pH from 2 to 12. In static systems, the pH and the concentration dependences of the interfacial tension were analysed on the basis of the Gibbs equation. The acid dissociation equilibrium at the interface was evaluated. In vigorously stirred systems, the interfacial adsorption was observed as a reversible, reproducible decrease of the organic phase concentration in response to stirring. A Langmuir isotherm was applicable for the adsorption of neutral LIX65N in acidic condition. The greater adsorption of the anionic form of LIX65N occurring in alkaline condition required an alternative isotherm.     

Hydrogen storage properties of lithium silicon alloy synthesized by mechanical alloying

A lithium silicon alloy was synthesized by mechanical alloying method. Hydrogen storage properties of this Li-Si-H system were studied. During hydrogenation of the lithium silicon alloy, lithium atom was extracted from the alloy and lithium hydride was generated. Equilibrium hydrogen pressures for desorption and absorption reactions were measured in a temperature range from 400 to 500 °C to investigate the thermodynamic characteristics of the system, which can reversibly store 5.4 mass% hydrogen with smaller reaction enthalpy than simple metal Li. Li absorbing alloys, which have been widely studied as a negative electrode material for Li ion rechargeable batteries, can be used as hydrogen storage materials with high hydrogen capacity.     

Structural stability of oligomeric proteins: A mean-field theoretical approach

We present a mean-field approach for calculating thermodynamic properties(free energies) of protein–solvent systems. We apply this method to thetumor suppressor protein p53, where we study the stability of itstetramerization domain when subjected to site-directed mutagenesis. Acomparison with experimental results is included.     

Optimization of operating temperature in cryocooled HTS magnets for compactness and efficiency

A new concept of thermal design to optimize the operating temperature of high temperature superconductor (HTS) magnets is presented, aiming simultaneously at small size and low energy consumption. The magnet systems considered here are refrigerated by a closed-cycle cryocooler, and liquid cryogens may or may not be used as a cooling medium. For a specific magnet application, the size of required HTS windings could be smaller at a lower temperature, by taking advantage of a greater critical current density of HTS. As the temperature decreases, however, the power input to the cryocooler increases dramatically because of the heavy cooling load and the poor refrigeration performance. Through a rigorous modeling and analysis incorporating the effect of magnet size into the load calculation, it is demonstrated that there exists an optimum for the operating temperature to minimize the power required. The optimal temperature is strongly dependent upon the magnitude of AC loss in the magnets and the assistance of heat interception.