• Journal of Astronomy and Space Sciences
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• v.26 no.1
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• pp.31-46
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• 2009

An Unscented Kalman Filter (UKF) for estimation of the attitude and rate of a spacecraft using only magnetometer vector measurement is developed. The attitude dynamics used in the estimation is the nonlinear Euler's rotational equation which is augmented with the quaternion kinematics to construct a process model. The filter is designed for small satellite in low Earth orbit, so the disturbance torques include gravity-gradient torque, magnetic disturbance torque, and aerodynamic drag torque. The magnetometer measurements are simulated based on time-varying position of the spacecraft. The filter has been tested not only in the standby mode but also in the detumbling mode. Two types of actuators have been modeled and applied in the simulation. The PD controller is used for the two types of actuators (reaction wheels and thrusters) to detumble the spacecraft. The estimation error converged to within 5 deg for attitude and 0.1 deg/s for rate respectively when the two types of actuators were used. A joint state parameter estimation has been tested and the effect of the process noise covariance on the parameter estimation has been indicated. Also, Monte-Carlo simulations have been performed to test the capability of the filter to converge with the initial conditions sampled from a uniform distribution. Finally, the UKF performance has been compared to that of the EKF and it demonstrates that UKF slightly outperforms EKF. The developed algorithm can be applied to any type of small satellites that are actuated by magnetic torquers, reaction wheels or thrusters with a capability of magnetometer vector measurements for attitude and rate estimation.

• Archives of Pharmacal Research
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• v.25 no.1
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• pp.11-24
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• 2002

The antitumor antibiotic (+)-CC-1065 can alkylate N3 of guanine in certain sequences. A previous high-field $^1H$ NMR study on the$(+)-CC-1065d[GCGCAATTG*CGC]_2$ adduct ($^*$ indicates the drug alkylation site) showed that drag modification on N3 of guanine results in protonation of the cross-strand cytosine [Park, H-J.; Hurley, L. H. J. Am. Chem. Soc.1997, 119,629]. In this contribution we describe a further analysis of the NMR data sets together with restrained molecular dynamics. This study provides not only a solution structure of the (+)-CC-1065(N3- guanine) DNA duplex adduct but also new insight into the molecular basis for the sequence- specific interaction between (+)-CC-1065 and N3-guanine in the DNA duplex. On the basis of NOESY data, we propose that the narrow minor groove at the 7T8T step and conformational kinks at the junctions of 16C17A and 18A19T are both related to DNA bending in the drugDNA adduct. Analysis of the one-dimensional $^1H$ NMR (in $H_2O$) data and rMD trajectories strongly suggests that hydrogen bonding linkages between the 8-OH group of the (+)-CC-1065 A-sub-unit and the 9G10C phosphate via a water molecule are present. All the phenomena observed here in the (+)-CC-1065(N3-guanine) adduct at 5'$-AATTG^*$are reminiscent of those obtained from the studies on the (+)-CC-1065(N3-adenine) adduct at $5'-AGTTA^*$, suggesting that (+)-CC-1065 takes advantage of the conformational flexibility of the 5'-TPu step to entrap the bent structure required for the covalent bonding reaction. This study reveals a common molecular basis for (+)-CC-1065 alkylation at both $5'-TTG^*$ and $5'-TTA^*$, which involves a trapping out of sequence-dependent DNA conformational flexibility as well as sequence-dependent general acid and general base catalysis by duplex DNA.

• Journal of Hydrogen and New Energy
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• v.31 no.2
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• pp.169-176
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• 2020

There is a growing interest in hydrogen energy utilization since an alternative energy development has been demanded due to the depletion of fossil fuels. Hydrogen is produced by the reforming reaction of natural gas and biogas, and the electrolysis of water. An solid oxide electrolyte cell (SOEC) is reversible system that generates hydrogen by electrolyzing the superheated steam or producing the electricity from a fuel cell by hydrogen. If the water can be converted into steam by waste heat from other processes it is more efficient for high-temperature electrolysis to convert steam directly. The reasons are based upon the more favorable thermodynamic and electrochemical kinetic conditions for the reaction. In the present study, steam at over 180℃ and 3.4 bars generated from a boiler were converted into superheated steam at over 700℃ and 3 bars using a cylindrical steam superheater as well as the waste heat of the exhaust gas at 900℃ from a solid refuse fuel combustor. Superheated steam at over 700℃ was then supplied to a high-temperature SOEC to increase the hydrogen production efficiency of water electrolysis. Computational fluid dynamics (CFD) analysis was conducted on the effects of the number of 90° elbow connector for piping, insulation types and insulation layers of pipe on the exit temperature using a commercial Fluent simulator. For two pre-heater injection method of steam inlet and ceramic wool insulation of 100 mm thickness, the highest inlet temperature of SOEC was 744℃ at 5.9 bar.

• Journal of Applied Biological Chemistry
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• v.63 no.4
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• pp.429-437
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• 2020

This study aimed to investigate the change in physicochemical properties and lactic acid bacterial communities during kimchi fermentation at different temperatures (8, 15, and 25 ℃) using two molecular genetics approaches, multiplex polymerase chain reaction and 16S rRNA gene sequencing. The pH during fermentation at 8, 15, and 25 ℃ decreased from 6.17 on the initial fermentation day to 3.92, 3.79, and 3.48 after 54, 30, and 24 days of fermentation, respectively, while the acidity increased from 0.24% to 1.12, 1.35, and 1.54%, respectively. In particular, the levels of lactic acid increased from 3.74 g/L on the initial day (day 0) to 14.43, 20.60, and 27.69 g/L during the fermentation after 24, 18, and 12 days at 8, 15, and 25 ℃, respectively, after that the lactic acid concentrations decreased slowly. The predominance of lactic acid bacteria (LAB) in the fermented kimchi was dependent on fermentation stage and temperature: Lactobacillus sakei appeared during the initial stage and Leuconsotoc mesenteroides was observed during the optimum-ripening stage at 8, 15, and 25 ℃. Lac. sakei and Lactobacillus plantarum grew rapidly in kimchi produced at 8, 15, and 25 ℃. In addition, Weissella koreensis first appeared at days 12, 9, and 6 at 8, 15, and 25 ℃ of fermentation, respectively. This result suggests that LAB population dynamics are rather sensitive to environmental conditions, such as pH, acidity, salinity, temperature, and chemical factors including free sugar and organic acids.

• Clean Technology
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• v.30 no.1
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• pp.23-27
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• 2024

Bismuth is a promising anodic for Li-ion batteries (LIBs) due to its adequate operating voltage and high-volume capacity (3,765 mAh cm^-3). Nevertheless, inevitable volume expansion during Bi alloy reactions leads to severe capacity loss and cell destruction. To address this, a complex of bismuth alloy nanoparticles (Bi@NC) embedded in an N doping-carbon coating is fabricated via a simple pyrolysis method. Nano-sized bismuth alloys can improve the reaction dynamics through a shortened Li⁺-ion diffusion path. In addition, the N-doped carbon coating effectively buffers the volume change of bismuth during the extended alloy/dealloy reaction with Li⁺ ions and maintains an effective conductive network. Based on the Thermogravimetric analysis (TGA) showed high bismuth alloy loading (80.9 wt%) and maintained a high gravimetric capacity of 315 mAh g^-1 up to 100 cycles with high volumetric capacity of 845.6 mAh cm^-3.

• Korean Chemical Engineering Research
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• v.54 no.5
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• pp.612-620
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• 2016

Aqueous mineral carbonation process, in which $CO_2$ is captured through the reaction with aqueous calcium oxide (CaO) solution, is one of CCU technology enabling the stable sequestration of $CO_2$ as well as economic value creation from its products. In order to enhance the carbon capture efficiency, it is required to maximize the dissolution rate of solid reactants, CaO. For this purpose, the proper design of a reactor, which can achieve the uniform distribution of solid reactants throughout the whole reactor, is essential. In this paper, the effect of internal reactor designs on the solid dispersion quality is studied by using CFD (computational fluid dynamics) techniques for the pilot-scale reactor which can handle 40 ton of $CO_2$ per day. Various combination cases consisting of different internal design variables, such as types, numbers, diameters, clearances and speed of impellers and length and width of baffles are analyzed for the stirred tank reactor with a fixed tank geometry. By conducting sensitivity analysis, we could distinguish critical variables and their impacts on solid distribution. At the same time, the reactor design which can produce solid distribution profile with a standard deviation value of 0.001 is proposed.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.39 no.1
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• pp.1-9
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• 2015

To satisfy stricter $NO_X$ emission regulations for light- and heavy-duty diesel vehicles, a control algorithm needs to be developed based on a selective catalytic reaction (SCR) dynamics model for chemical reactions. This paper presents the development and validation of a SCR dynamics model through test rig experiments and MATLAB simulations. A nonlinear state space model is proposed based on the mass conservation law of chemical reactions in the SCR dynamics model. Experiments were performed on a test rig to evaluate the effects of the $NO_X$ and $NH_3$ concentrations, gas temperature, and space velocity on the $NO_X$ conversion efficiency for the urea-SCR system. The parameter values of the proposed SCR model were identified using the experimental datasets. Finally, a control-oriented model for an SCR system was developed and validated from the experimental data in a MATLAB simulation. The results of this study should contribute toward developing a closed-loop control strategy for $NO_X$ and $NH_3$ slip reduction in the urea-SCR system for an actual engine test bench.

• Applied Chemistry for Engineering
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• v.18 no.6
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• pp.643-649
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• 2007

Lipase-catalyzed esterification of structural butanol isomers and n-butyric acid was investigated in supercritical carbon dioxide. The experiments were performed in a high pressure cell for 5 hrs with a stirring rate of 150 rpm at 323.15 K and 130 bar. The Candida Antarctica lipase B (CALB) was used in whole system as a catalyst. The experimental results were analyzed by GC-FID using a INNOWax capillary column. The conversion yield and the tendency of the esterification in supercritical carbon dioxide were compared with estimated results by molecular dynamics simulation. Based on the Ping-Pong Bi-Bi mechanism with competitive inhibition, each step of the reaction was optimized; using this result the transition state was predicted. Conformational preference of isomers was also analyzed using molecular dynamics simulations. This kind of approach will be further extended to the prediction of enzyme-catalyzed reactions using computers.

• Fire Science and Engineering
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• v.32 no.1
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• pp.7-15
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• 2018

The prediction performance of combustion models in the Fire Dynamics Simulator (FDS) were evaluated by comparing with experiment for compartment propane gas fires. The mixture fraction model in the FDS v5.5.3 and Eddy Dissipation Concept (EDC) model in the FDS v6.6.3 were adopted in the simulations. Four chemical reaction mechanisms, such as 1-step Mixing Controlled, 2-step Mixing Controlled, 3-step Mixing Controlled and 3-step Mixed (Mixing Controlled + finite chemical reactions) reactions, were implemented in the EDC model. The simulation results with each combustion model showed similar level for the temperature inside the compartment. The prediction performance of FDS with each combustion model showed significant differences for the CO concentration while no distinguished differences were identified for the $O_2$ and $CO_2$ concentrations. The EDC 3-step Mixing Controlled largely over-predicted the CO concentration obtained by experiment and the mixture fraction model under-predicted the experiment slightly. The EDC 3-step Mixed showed the best prediction performance for the CO concentration and the EDC 2-step Mixing Controlled also predicted the CO concentration reasonably. The EDC 1-step Mixing Controlled significantly under-predict the experimental CO concentration when the previously suggested CO yield was adopted. The FDS simulation with the EDC 1-step Mixing Controlled showed difficulties in predicting the $CO_2$ concentration when the CO yield was modified to predict the CO concentration reasonably.

• Journal of Energy Engineering
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• v.24 no.4
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• pp.200-210
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• 2015

The modeling for fast pyrolysis of biomass in fluidized bed reactor has been developed for accurate prediction of bio-oil and gas products and for yield improvement. The purpose of this study is to analyze and to compare the CFD(Computational Fluid Dynamics) simulation results with the experimental data from the CFD simulation results with the experimental data from the reference(Mellin et al., 2014) for gas products generated during fast pyrolysis of biomass in fluidized bed reactor. CFD(ANSYS FLUENT v.15.0) was used for the simulation. Complex pyrolysis reaction scheme of biomass subcomponents was applied for the simulation of pyrolysis reaction. This pyrolysis reaction scheme was included reaction of cellulose, hemicellulose, lignin in detail, gas products obtained from pyrolysis were mainly $CO_2$, CO, $CH_4$, $H_2$, $C_2H_4$. The deviation between the simulation results from this study and experimental data from the reference was calculated about 3.7%p, 4.6%p, 3.9%p for $CH_4$, $H_2$, $C_2H_4$ respectively, whereas 9.6%p and 6.7%p for $CO_2$ and CO which are relatively high. Through this study, it is possible to predict gas products accurately by using CFD simulation approach. Moreover, this modeling approach should be developed to predict fluidized bed reactor performance and other gas product yields.