• Transactions of the Korean hydrogen and new energy society
• /
• v.35 no.1
• /
• pp.90-96
• /
• 2024

In this paper, a new technology to obtain electronic grade, highly pure carbon dioxide by using membrane and liquefied natural gas (LNG) cold heat assisted cryogenic distillation has been proposed. PRO/II with PROVISION release 2023.1 from AVEVA company was used, and Peng-Robinson equation of the state model with Twu's alpha function to predict pure component vapor pressure versus temperature more accurately was selected for the modeling of the membrane and cryogenic distillation process. Advantage of using membrane separation instead of selecting absorber-stripper configuration for the concentration of carbon dioxide was the reduction of carbon dioxide capture cost.

• Membrane and Water Treatment
• /
• v.7 no.5
• /
• pp.463-476
• /
• 2016

In this study, application of polypropylene hollow fiber membrane contactors for $CO_2$ removal from water in liquid-liquid extraction (LLE) mode was simulated. For this purpose, a steady state 2D mathematical model was developed. In this model axial and radial diffusion was considered to $CO_2$ permeation through the hollow fibers. $CO_2$ laden water is fed at a constant flow rate into the lumen side, permeated through the pores of membrane and at the end of this process, $CO_2$ solution in the lumen side was extracted by means of aqueous diethanolamine (DEA) and chemical reaction. The simulation results were validated with the experimental data and it was found a good agreement between them, which confirmed the reliability of the proposed model. Both simulation and experimental results confirmed the reduction in the percentage of $CO_2$ removal by increment of feed flow rate.

• Membrane Journal
• /
• v.33 no.1
• /
• pp.34-45
• /
• 2023

Two computational intelligence techniques namely artificial neural networks (ANN) and support vector machine (SVM) are employed to model the permeate flux based on seven input variables including time, transmembrane pressure, rotating velocity, the pore diameter of the membrane, dynamic viscosity, concentration and density of the feed fluid. The best-fit model was selected through the trial-error method and the two statistical parameters including the coefficient of determination (R²) and the average absolute relative deviation (AARD) between the experimental and predicted data. The obtained results reveal that the optimized ANN model can predict the permeate flux with R² = 0.999 and AARD% = 2.245 versus the SVM model with R² = 0.996 and AARD% = 4.09. Thus, the ANN model is found to predict the permeate flux with high accuracy in comparison to the SVM approach.

• International Journal of Automotive Technology
• /
• v.7 no.7
• /
• pp.867-872
• /
• 2006

Fuel cells are devices that convert chemical energy directly into electrical energy. Owing to the high efficiency of the fuel cells, a large number of research work have been done during these years. Among many kinds of the fuel cells, a polymer electrolyte membrane fuel cell is such kind of thing which works under low temperature. Because of the specialty, it stimulated intense global R&D competition. Most of the major world automakers are racing to develop polymer electrolyte membrane fuel cell passenger vehicles. Unfortunately, there are still many problems to be solved in order to make them into the commercial use, such as the thermal and water management in working process of PEMFCs. To solve the difficulites facing the researcher, the analysis of the inner mechanism of PEMFC should be implemented as much as possible and mathematical modeling is an important tool for the research of the fuel cell especially with the combination of experiment. By regarding some of the assumptions and simplifications, using the finite element technique, a two-dimensional electrochemical mode is presented in this paper for the further comparison with experimental data. Based on the principals of the problem, the equations of electronic charge conservation equation, gas-phase continuity equation, and mass balance equation are used in calculating. Finally, modeling results indicate some of the phenomenon in a unit cell, and the relationships between potential and current density.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.11
• /
• pp.3429-3443
• /
• 2013

Chemokine receptor (CCR2) is a G protein-coupled receptor that contains seven transmembrane helices. Recent pharmaceutical research has focused on the antagonism of CCR2 and candidate drugs are currently undergoing clinical studies for the treatment of diseases like arthritis, multiple sclerosis, and type 2 diabetes. In this study, we analyzed the time dependent behavior of CCR2 docked with a potent 4-azetidinyl-1-aryl-cyclohexane (4AAC) derivative using molecular dynamics simulations (MDS) for 20 nanoseconds (ns). Homology modeling of CCR2 was performed and the 4AAC derivative was docked into this binding site. The docked model of selected conformations was then utilized to study the dynamic behavior of the 4AAC enzyme complexes inside lipid membrane. MDS of CCR2-16b of 4AAC complexes allowed us to refine the system since binding of an inhibitor to a receptor is a dynamic process and identify stable structures and better binding modes. Structure activity relationships (SAR) for 4AAC derivatives were investigated and reasons for the activities were determined. Probable binding pose for some CCR2 antagonists were determined from the perspectives of binding site. Initial modeling showed that Tyr49, Trp98, Ser101, Glu291, and additional residues are crucial for 4AAC binding, but MDS analysis showed that Ser101 may not be vital. 4AAC moved away from Ser101 and the hydrogen bonding between 4AAC and Ser101 vanished. The results of this study provide useful information regarding the structure-based drug design of CCR2 antagonists and additionally suggest key residues for further study by mutagenesis.

• Structural Engineering and Mechanics
• /
• v.55 no.2
• /
• pp.349-364
• /
• 2015

Analytical solutions for modeling geotextile tubes during the filling process and approximation method to determine the densified tube shape are reviewed. The geotextile tube filling analysis is based on Plaut & Suherman's two-dimensional solution for geotextile tubes having a weightless and frictionless inextensible membrane resting on a rigid horizontal foundation subjected to internal and external hydrostatic pressures. The approximation for the densified tube shape developed by Leshchinsky et al. was adopted. A modified method for approximating the densified tube shape based on an areal-strain deformation analysis is introduced. Design diagrams useful for approximating geotextile tube measurements in the design process are provided.

• Journal of Korean Association for Spatial Structures
• /
• v.7 no.2 s.24
• /
• pp.115-124
• /
• 2007

The initial shape is arrived at by a self-formation process, which accomplishes a form in the natural world, or is determined analytically by considering the equilibrium of initial stress only. Therefore, the self-formation process, which accomplishes a form in the natural world is grasped and the types of modeling techniques available to find the shapes of soft structures are well investigated and classified. To establish a form-finding modeling techniques, the models of string, soap film, fabric, rubber, plaster, and etc. are used. These modeling techniques can be used as a method of understanding the characteristics of structures when the material of model shows similar characteristics. Generally, the model test confirms the structure based on numerical analysis, at the same time it is important preceding process to develop such a program. With the above process, the relationship between model test and numerical analysis becomes a feedback process. Therefore, in this study, two examples which have been accomplished from such a technique are investigated and considered according to modeling process.

• Membrane and Water Treatment
• /
• v.1 no.1
• /
• pp.61-74
• /
• 2010

This paper will integrate models at different levels (from filtration, backwashing to chemical cleaning and membrane lifetime) that can be used to minimize overall operating costs of a dead-end ultra filtration process that is used for the purification of surface water. Integration of the models leads to a multi-level optimization problem (at different levels different objectives should be reached). This problem is solved as a MINLP. Systematic modelling and optimization of membrane systems is not extensively discussed in the scientific literature. In this paper the first steps are taken in the formulation of proper models and the use of systems engineering tools to come to real optimal operating conditions. The optimized variables are used to calculate fouling profiles which can subsequently be used as inputs for a control system that actually enforces the profiles to a real pilot plant.

• Microbiology and Biotechnology Letters
• /
• v.20 no.4
• /
• pp.451-458
• /
• 1992

Pervaporation which is capable of removing ethanol selectively was adopted to reduce the ethanol inhibition and in situ recovery of ethanol in ethanol fermentation, The composite membrane made of silicone and polysulfone was used to separate the ethanol selectively. The ethanol selectivity of the membrane was about 4 and the total flux was 300 g/m2 h at 301:: and 10 mmHg for 25 g/l of feed concentration. Saccharomyces cerevisiae entrapped within Ca-alginate gels was employed for ethanol fermentations in a fluidized-bed bioreactor. The pervaporation membrane unit and fluidized-bed bioreactor were combined into one system. The proposed model equations for the combined system showed good accordances with the experimental results. It was found from the simulation results that the ethanol concentration in the broth for the combined system was lower than that for the continuous fermentation system without a membrane unit. Ethanol productivity can be thus increased by employing the combined system.

• Proceedings of the KIEE Conference
• /
• 2005.07b
• /
• pp.1722-1724
• /
• 2005

The focus of this paper is to develop a mathematical model for investigating the dynamic performance of a polymer electrolyte membrane fuel cell. The model in this work is based on physical laws having clear significance in replicating the fuel cell system and can easily be used to set up different operational strategies. Simulation results display the transient behavior of the voltage within each single cell, and also within a number of such single cells combined into a fuel cell stack system. A linear as well as a nonlinear analysis of the polymer electrolyte membrane fuel cell system(PEMFC) has been discussed in order to present a complete and comprehensive view of this kind of modeling. Also, a comparison of the two kinds of analysis has been performed. Finally, the various characteristics of the fuel cell system are plotted in order to help us understand its dynamic behavior. Results indicate that there is a considerable amount of error in the modeling process if we use a linear model of the fuel cell. Thus, the nonlinearities present in the fuel cell system should be taken into account in order to obtain a better understanding of the dynamic behavior of the fuel cell system.