CFD analysis of thermodynamic cycles in a pulse tube refrigerator

The objectives of this paper are to study the thermodynamic cycles in an inertance tube pulse tube refrigerator (ITPTR) by means of CFD method The simulation results show that gas parcels working in different parts of ITPTR undergo different thermodynamic cycles The net effects of those thermodynamic cycles are pumping heat from the low temperature part to the high temperature part of the system The simulation results also show that under different frequencies of piston movement the gas parcels working in the same part of the system will undergo the same type of thermodynamic cycles The simulated thermal cycles are compared with those thermodynamic analysis results from a reference Comparisons show that both CFD simulations and theoretical analysis predict the same type of thermal cycles at the same location However only CFD simulation can give the quantitative results while the thermodynamic analysis is still remaining in quality (C) 2010 Elsevier Ltd All rights reserved

Experimentation with different thermodynamic cycles used for pKa calculations on carboxylic acids using Complete Basis Set and Gaussian-n Models combined with CPCM Continuum Solvation Methods

Complete basis set and Gaussian-n methods were combined with Barone and Cossi's implementation of the polarizable conductor model (CPCM) continuum solvation methods to calculate pKa values for six carboxylic acids. Four different thermodynamic cycles were considered in this work. An experimental value of −264.61 kcal/mol for the free energy of solvation of H+, ΔGs(H+), was combined with a value for Ggas(H+) of −6.28 kcal/mol, to calculate pKa values with cycle 1. The complete basis set gas-phase methods used to calculate gas-phase free energies are very accurate, with mean unsigned errors of 0.3 kcal/mol and standard deviations of 0.4 kcal/mol. The CPCM solvation calculations used to calculate condensed-phase free energies are slightly less accurate than the gas-phase models, and the best method has a mean unsigned error and standard deviation of 0.4 and 0.5 kcal/mol, respectively. Thermodynamic cycles that include an explicit water in the cycle are not accurate when the free energy of solvation of a water molecule is used, but appear to become accurate when the experimental free energy of vaporization of water is used. This apparent improvement is an artifact of the standard state used in the calculation. Geometry relaxation in solution does not improve the results when using these later cycles. The use of cycle 1 and the complete basis set models combined with the CPCM solvation methods yielded pKa values accurate to less than half a pKa unit. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001

Optimisation methods for coupled thermodynamic and 1D design of radial-inflow turbines

Optimisation is a fundamental step in the turbine design process, especially in the development of non-classical designs of radial-inflow turbines working with high-density fluids in low-temperature Organic Rankine Cycles (ORCs). The present work discusses the simultaneous optimisation of the thermodynamic cycle and the one-dimensional design of radial-inflow turbines. In particular, the work describes the integration between a 1D meanline preliminary design code adapted to real gases and the performance estimation approach for radial-inflow turbines in an established ORC cycle analysis procedure. The optimisation approach is split in two distinct loops; the inner operates on the 1D design based on the parameters received from the outer loop, which optimises the thermodynamic cycle. The method uses parameters including brine flow rate, temperature and working fluid, shifting assumptions such as head and flow coefficients into the optimisation routine. The discussed design and optimisation method is then validated against published benchmark cases. Finally, using the same conditions, the coupled optimisation procedure is extended to the preliminary design of a radial-inflow turbine with R143a as working fluid in realistic geothermal conditions and compared against results from commercially-available software RITAL from Concepts-NREC.

Design and optimization of turbo-expanders for organic rankine cycles

In a world focused on the need to produce energy for a growing population, while reducing atmospheric emissions of carbon dioxide, organic Rankine cycles represent a solution to fulfil this goal. This study focuses on the design and optimization of axial-flow turbines for organic Rankine cycles. From the turbine designer point of view, most of this fluids exhibit some peculiar characteristics, such as small enthalpy drop, low speed of sound, large expansion ratio. A computational model for the prediction of axial-flow turbine performance is developed and validated against experimental data. The model allows to calculate turbine performance within a range of accuracy of ±3%. The design procedure is coupled with an optimization process, performed using a genetic algorithm where the turbine total-to-static efficiency represents the objective function. The computational model is integrated in a wider analysis of thermodynamic cycle units, by providing the turbine optimal design. First, the calculation routine is applied in the context of the Draugen offshore platform, where three heat recovery systems are compared. The turbine performance is investigated for three competing bottoming cycles: organic Rankine cycle (operating cyclopentane), steam Rankine cycle and air bottoming cycle. Findings indicate the air turbine as the most efficient solution (total-to-static efficiency = 0.89), while the cyclopentane turbine results as the most flexible and compact technology (2.45 ton/MW and 0.63 m3/MW). Furthermore, the study shows that, for organic and steam Rankine cycles, the optimal design configurations for the expanders do not coincide with those of the thermodynamic cycles. This suggests the possibility to obtain a more accurate analysis by including the computational model in the simulations of the thermodynamic cycles. Afterwards, the performance analysis is carried out by comparing three organic fluids: cyclopentane, MDM and R245fa. Results suggest MDM as the most effective fluid from the turbine performance viewpoint (total-to-total efficiency = 0.89). On the other hand, cyclopentane guarantees a greater net power output of the organic Rankine cycle (P = 5.35 MW), while R245fa represents the most compact solution (1.63 ton/MW and 0.20 m3/MW). Finally, the influence of the composition of an isopentane/isobutane mixture on both the thermodynamic cycle performance and the expander isentropic efficiency is investigated. Findings show how the mixture composition affects the turbine efficiency and so the cycle performance. Moreover, the analysis demonstrates that the use of binary mixtures leads to an enhancement of the thermodynamic cycle performance.

Deciphering the role of the electrostatic interactions in the alpha-tropomyosin head-to-tail complex

Skeletal alpha-tropomyosin (Tm) is a dimeric coiled-coil protein that forms linear assemblies under low ionic strength conditions in vitro through head-to-tail interactions. A previously published NMR structure of the Tin head-to-tail complex revealed that it is formed by the insertion of the N-terminal coiled-coil of one molecule into a cleft formed by the separation of the helices at the C-terminus of a second molecule. To evaluate the contribution of charged residues to complex stability, we employed single and double-mutant Tm fragments in which specific charged residues were changed to alanine in head-to-tail binding assays, and the effects of the mutations were analyzed by thermodynamic double-mutant cycles and protein-protein docking. The results show that residues K5, K7, and D280 are essential to the stability of the complex. Though D2, K6, D275, and H276 are exposed to the solvent and do not participate in intermolecular contacts in the NMR structure, they may contribute to head-to-tail complex stability by modulating the stability of the helices at the Tm termini.

Cogeneration design problem Computational complexity analysis and solution through an expert system

Purpose - The purpose of this paper is twofold: to analyze the computational complexity of the cogeneration design problem; to present an expert system to solve the proposed problem, comparing such an approach with the traditional searching methods available.Design/methodology/approach - The complexity of the cogeneration problem is analyzed through the transformation of the well-known knapsack problem. Both problems are formulated as decision problems and it is proven that the cogeneration problem is np-complete. Thus, several searching approaches, such as population heuristics and dynamic programming, could be used to solve the problem. Alternatively, a knowledge-based approach is proposed by presenting an expert system and its knowledge representation scheme.Findings - The expert system is executed considering two case-studies. First, a cogeneration plant should meet power, steam, chilled water and hot water demands. The expert system presented two different solutions based on high complexity thermodynamic cycles. In the second case-study the plant should meet just power and steam demands. The system presents three different solutions, and one of them was never considered before by our consultant expert.Originality/value - The expert system approach is not a "blind" method, i.e. it generates solutions based on actual engineering knowledge instead of the searching strategies from traditional methods. It means that the system is able to explain its choices, making available the design rationale for each solution. This is the main advantage of the expert system approach over the traditional search methods. On the other hand, the expert system quite likely does not provide an actual optimal solution. All it can provide is one or more acceptable solutions.

Theoretical Calculations of Acid Dissociation Constants: A Review Article

Acid dissociation constants, or pKa values, are essential for understanding many fundamental reactions in chemistry. These values reveal the deprotonation state of a molecule in a particular solvent. There is great interest in using theoretical methods to calculate the pKa values for many different types of molecules. These include molecules that have not been synthesized, those for which experimental pKa determinations are difficult, and for larger molecules where the local environment changes the usual pKa values, such as for certain amino acids that are part of a larger polypeptide chain. Chemical accuracy in pKa calculations is difficult to achieve, because an error of 1.36 kcal/mol in the change of free energy for deprotonation in solvent results in an error of 1 pKa unit. In this review the most valuable methods for determining accurate pKa values in aqueous solution are presented for educators interested in explaining or using these methods for their students.

Dry cooling with night cool storage to enhance solar power plants performance in extreme conditions areas

Solar thermal power plants are usually installed in locations with high yearly average solar radiation, often deserts. In such conditions, cooling water required for thermodynamic cycles is rarely available. Moreover, when solar radiation is high, ambient temperature is very high as well; this leads to excessive condensation temperature, especially when air-condensers are used, and decreases the plant efficiency. However, temperature variation in deserts is often very high, which drives to relatively low temperatures during the night. This fact can be exploited with the use of a closed cooling system, so that the coolant (water) is chilled during the night and store. Chilled water is then used during peak temperature hours to cool the condenser (dry cooling), thus enhancing power output and efficiency. The present work analyzes the performance improvement achieved by night thermal cool storage, compared to its equivalent air cooled power plant. Dry cooling is proved to be energy-effective for moderately high day–night temperature differences (20 °C), often found in desert locations. The storage volume requirement for different power plant efficiencies has also been studied, resulting on an asymptotic tendency.

Thermodynamic modelling of absorption-resorption heating cycles with some new working pairs

This paper presents the results of a thermodynamic cycle analysis of single stage resorption heat pump (RHP) and resorption heat transformer (RHT) cycles with the new working pairs R22-NMP and R22-DMA. The coefficients of performance (COP) are correlated with the low grade source temperature, temperature at which useful heat is obtained and ambient temperature. The COPs are in the range 1.20–1.60 for the RHP mode and 0.25–0.45 for the RHT mode. Absorber temperatures (useful temperatures) as high as 50°C in the RHP mode and 87°C in the RHT mode have been obtained. It is observed that absorption-resorption systems are inflexible in their range of operating temperature and necessitate a higher pump work as compared with simple single-stage absorption heating systems. However, single stage RHTs show higher temperature boosts than simple absorption heat transformers.

Absorption-resorption heating cycles with the new working pairs R21-NMP and R21-DMA

The new working pairs, R21-NMP and R21-DMA, find potential application as working pairs for the single stage Resorption Heat Pump (RHP) and the Resorption Heat Transformer (RHT) cycles. A thermodynamic cycle analysis with these pairs shows that single stage RHPs have high COPs in their entire range of operation. RHTs show higher temperature boosts (up to 47 K) than the simple absorption heat transformers. Absorber temperatures of up to 400 K can be achieved in a single stage RHT system using R21 as the refrigerant. However, absorption-resorption systems have inherent limitations on the range of operating temperatures. Besides, they necessitate a higher pump work as compared to simple single stage absorption heating systems.

Evaluation of isopentane, R-245fa and their mixtures as working fluids for organic Rankine cycles

Low grade thermal energy from sources such as solar, geothermal and industrial waste heat in the temperature range of 380-425 K can be converted to electrical energy with reasonable efficiency using isopentane and R-245fa. While the former is flammable and the latter has considerable global warming potential, their mixture in 0.7/0.3 mole fraction is shown to obviate these disadvantages and yet retain dominant merits of each fluid. A realistic thermodynamic analysis is carried out wherein the possible sources of irreversibilities such as isentropic efficiencies of the expander and the pump and entropy generation in the regenerator, boiler and condenser are accounted for. The performance of the system in the chosen range of heat source temperatures is evaluated. A technique of identifying the required source temperature for a given output of the plant and the maximum operating temperature of the working fluid is developed. This is based on the pinch point occurrence in the boiler and entropy generation in the boiling and superheating regions of the boiler. It is shown that cycle efficiencies of 10-13% can be obtained in the range investigated at an optimal expansion ratio of 7-10. (C) 2012 Elsevier Ltd. All rights reserved.

A thermodynamic framework for the evolution of damage in concrete under fatigue

A closed-form expression for the dual of dissipation potential is derived within the framework of irreversible thermodynamics using the principles of dimensional analysis and self-similarity. Through this potential, a damage evolution law is proposed for concrete under fatigue loading using the concepts of damage mechanics in conjunction with fracture mechanics. The proposed law is used to compute damage in a volume element when a member is subjected to fatigue loading. The evolution of damage from microcracking to macrocracking of the entire member is captured through a series of volume elements failing one after the other. The number of loading cycles to failure of the member is obtained as the summation of number of cycles to failure for each individual volume element. A parametric study is conducted to determine the effect of the size of the volume element on the model's prediction of fatigue life. A global damage index is also defined, and the residual moment carrying capacity of damaged beams is evaluated. Through a deterministic sensitivity analysis, it is found that the load range and maximum aggregate size are the most influencing parameters on the fatigue life of a plain concrete beam.

ELEVATION OF HEAT REJECTION TEMPERATURE IN TRANSCRITICAL CONDENSING CYCLES USING CO2+PROPANE MIXTURES

In this paper, a detailed thermodynamic performance analysis of a transcritical condensing (TC) cycle is performed with pure CO2 and a blend of 48.5 % propane with 51.5 % CO2 as working fluids. A realistic thermodynamic model is used incorporating irreversibilities in turbo-machineries and heat exchangers. The Key finding is that the addition of propane elevates the heat rejection temperature, but does not impair any of the performance indicators. Such a fluid may be useful for power generation in concentrated solar power applications by using which a hike of up to 2 % can be realized in the thermal efficiency of a power plant.

Preliminary analysis of organic Rankine cycles to improve vehicle efficiency

This paper presents the background rationale and key findings for a model-based study of supercritical waste heat recovery organic Rankine cycles. The paper’s objective is to cover the necessary groundwork to facilitate the future operation of a thermodynamic organic Rankine cycle model under realistic thermodynamic boundary conditions for performance optimisation of organic Rankine cycles. This involves determining the type of power cycle for organic Rankine cycles, the circuit configuration and suitable boundary conditions. The study focuses on multiple heat sources from vehicles but the findings are generally applicable, with careful consideration, to any waste heat recovery system. This paper introduces waste heat recovery and discusses the general merits of organic fluids versus water and supercritical operation versus subcritical operation from a theoretical perspective and, where possible, from a practical perspective. The benefits of regeneration are investigated from an efficiency perspective for selected subcritical and supercritical conditions. A simulation model is described with an introduction to some general Rankine cycle boundary conditions. The paper describes the analysis of real hybrid vehicle data from several driving cycles and its manipulation to represent the thermal inertia for model heat input boundary conditions. Basic theory suggests that selecting the operating pressures and temperatures to maximise the Rankine cycle performance is relatively straightforward. However, it was found that this may not be the case for an organic Rankine cycle operating in a vehicle. When operating in a driving cycle, the available heat and its quality can vary with the power output and between heat sources. For example, the available coolant heat does not vary much with the load, whereas the quantity and quality of the exhaust heat varies considerably. The key objective for operation in the vehicle is optimum utilisation of the available heat by delivering the maximum work out. The fluid selection process and the presentation and analysis of the final results of the simulation work on organic Rankine cycles are the subjects of two future publications.