• 융복합기술연구소 논문집
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• 제2권2호
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• pp.30-34
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• 2012

The SI thermochemical cycle process accomplishes water splitting through distinctive three chemical reactions. We focused on thermodynamic models applicable to the process. Recently, remarkable models based on the assumed ionic species have been developed to describe highly nonideal behavior on the liquid phase reactions. ElecNRTL models with ionic reactions were proposed in order to provide reliable process simulation results for phase equilibrium calculations in Section II and III. In this study, the current thermodynamic models of SI thermochemical cycle process were briefly described and the calculation results of the applied ElecNRTL models for phase equilibrium calculations were illustrated for binary systems.

• 한국농공학회논문집
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• 제57권1호
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• pp.79-87
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• 2015

A thermochemical equilibrium model was constructed for predicting composition of synthesis gas in biomass gasification. The model included estimation of equilibrium constants using Gibbs free energy. After constructing the model, the results were compared with the experimental values and predictions from a previous model. Gas compositions were reasonably well agreed with them and showed effects of operational and fuel condition. When the reaction temperature increased, the lower heating values decreased due to the decrease in CH4 concentrations. The methane concentrations were lower than those observed in experimental results. The model was used to predict the gas composition and heating values for the cases of mixed fuel of charcoal and un-dry woodchips. Although downdraft gasifiers require fuels less than 15% of moisture contents, the model results indicated that the mixed fuel with charcoal and woodchips which had over 25% of moisture contents could be used in the downdraft gasifiers. It might be explained by increase in energy density resulting from mixing charcoal. The results imply that the efforts and costs for drying biomass fuels could be reduced by mixing charcoal or fuels with higher calorific values.

• International Journal of Aeronautical and Space Sciences
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• 제18권1호
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• pp.28-37
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• 2017

Recent modeling of thermal nonequilibrium processes in simple molecules like hydrogen and nitrogen has indicated that rotational nonequilibrium becomes as important as vibrational nonequilibrium at high temperatures. In the present work, in order to analyze rovibrational nonequilibrium, the rotational mode is separated from the translational-rotational mode that is usually considered as an equilibrium mode in two- and multi-temperature models. Then, the translational, rotational, and electron-electronic-vibrational modes are considered separately in describing the thermochemical nonequilibrium of nitrogen behind a strong normal shock wave. The energy transfer for each energy mode is described by recently evaluated relaxation time parameters including the rotational-to-vibrational energy transfer. One-dimensional post-normal shock flow equations are constructed with these thermochemical models, and post-normal shock flow calculations are performed for the conditions of existing shock-tube experiments. In comparisons with the experimental measurements, it is shown that the present thermochemical model is able to describe the rotational and electron-electronic-vibrational relaxation processes of nitrogen behind a strong shock wave.

• 융복합기술연구소 논문집
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• 제5권1호
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• pp.1-5
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• 2015

SI thermochemical hydrogen production process achieves water splitting into hydrogen and oxygen through three chemical reactions. The process is comprised of three sections and one of them is HI decomposition into $H_2$ and $I_2$ called as Section III. The production of $H_2$ included processes involving EED for concentrating a product stream from Section I. Additionally an $I_2$ crystallization would be considered to reduce burden on EED by removing certain amount of $I_2$ out of a process stream prior to EED. In this study, the current thermodynamic model of SI process was briefly described and the calculation results of the applied Electrolytes NRTL model for phase equilibrium calculations was illustrated for ternary systems of Section III. We calculated temperature and heat duty of an $I_2$ crystallizer and heat duty of heaters using UVa model and heat balance equation of simulation tool. The results were expected to be used as operation information in optimizing HI decomposition process and setting up material balance throughout SI process.

• 한국수소및신에너지학회논문집
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• 제26권6호
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• pp.567-580
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• 2015

In order to select an optimum gasifier for specific low rank coal, evaluation elements were studied by analyzing characteristics of low rank coal compared with those of high rank coal and the effects of each gasifier type in accordance with the characteristics. And syngas composition calculation model was made on the basis of thermochemical equilibrium to quantify some of the evaluation elements. And then the suitable gasifier was selected for a kind of Indonesian low rank coal through this syngas composition calculation model and the evaluation elements of selecting gasifier.

• International Journal of Aerospace System Engineering
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• 제2권1호
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• pp.12-17
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• 2015

Aero-optical effects induced by the flow around the optical window degrade the performance of the IR seeker, especially for the hypersonic flow. For the thermochemical non-equilibrium flow, index of refraction model and optical transmission calculation method are developed to predict the aero-optical effects. The optical distortion is discussed for the typical optical widow shape and flow condition. The influence on aero-optical effects is analyzed.

• 한국전산유체공학회지
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• 제18권3호
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• pp.87-93
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• 2013

A computational study has been performed to examine the effects of catalytic walls on the stagnation region heat transfer. The boundary conditions for none, finite, and fully catalytic walls have been incorporated into a multi-block compressible Navier-Stokes solver. In the present study, both chemical and thermal non-equilibrium effects were included. The flows over a blunt body model were simulated by varying surface catalytic recombination rates. A full range of catalycities was explored in the context of a constant wall temperature assumption. Detailed information on species concentrations, temperature, and surface heat flux are presented. Comparison with available flight data of surface heat flux is also made.

• 한국자동차공학회논문집
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• 제1권1호
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• pp.80-89
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• 1993

Performance simulation for a Spark Ignition Wankel rotary Engine is presented in this paper. The volume of chamber at each eccentric shaft angle is evaluated by using geometric models of housing and rotor. A thermodynamic model which includes the first law of thermodynamics, combustion and convective heat transfer from chamber contents to surroundings is imployed. A thermochemical equilibrium model which considers 10 species(CO, $CO_2$, $O_2$, $H_2$, $H_2O$, OH, O, NO, $N_2$) in the burned gas region, is also employed. Four processes of gas exchange, compression, combustion and expansion are considered and the pressure, temperature and composition of chamber gas at each eccentric shaft angle in each process are computed in this performance simulation. This performance simulation must be useful for optimal design of Spark Ignition Wankel Rotray Engine with parametric study for various design parameters and operating conditions.

• 한국전산유체공학회지
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• 제17권4호
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• pp.69-74
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• 2012

Hypersonic flowfields over a sphere is calculated by using a nonequilibrium flow solver. The flow solver features a two-temperature model and finite rate chemical reaction models to describe nonequilibrium thermochemical processes. For the purpose of validation, the calculated shock stand-off distance is compared with the experimental data which is measured in a ballistic range facility. The present nonequilibrium calculation well reproduced the experimental shock stand-off distance in the cases where the experimental flowfields are expected to be nearly equilibrium, as well as in the cases to be nonequilibrium flowfields in the velocity range 4000 to 5500 m/s.

• Nuclear Engineering and Technology
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• 제52권2호
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• pp.279-286
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• 2020

In this article, we develop a reactive distillation (RD) column configuration for the production of hydrogen. This RD column is in the HI decomposition section of the sulphur - iodine (SI) thermochemical cycle, in which HI decomposition and H₂ separation take place simultaneously. The section plays a major role in high hydrogen production efficiency (that depends on reaction conversion and separation efficiency) of the SI cycle. In the column simulation, the rigorous thermodynamic phase equilibrium and reaction kinetic model are used. The tuning parameters involved in phase equilibrium model are dependent on interactive components and system temperature. For kinetic model, parameter values are adopted from the Aspen flowsheet simulator. Interestingly, there is no side reaction (e.g., solvation reaction, electrolyte decomposition and polyiodide formation) considered aiming to make the proposed model simple that leads to a challenging prediction. The process parameters are determined on the basis of optimal hydrogen production as reflux ratio = 0.87, total number of stages = 19 and feeding point at 8th stage. With this, the column operates at a reasonably low pressure (i.e., 8 bar) and produces hydrogen in the distillate with a desired composition (H₂ = 9.18 mol%, H₂O = 88.27 mol% and HI = 2.54 mol%). Finally, the results are compared with other model simulations. It is observed that the proposed scheme leads to consume a reasonably low energy requirement of 327 MJ/kmol of H₂.