• Membrane and Water Treatment
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• v.8 no.6
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• pp.553-562
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• 2017

In the present study, the water desalination across the penta-graphene has been explored by using molecular dynamics simulation. The penta-graphene, a new carbon allotrope, introduced theoretically in 2015. It was shown that this carbon nanostructure is slightly stiffer against buckling in comparison with the graphene nanoribbons. The effect of radius of curvature (ROC) of the membrane, pore size, and applied pressure, on water flow rate, and salt rejection is investigated. It is shown that salt rejection, and the shape of the oxygen density distribution inside the pore can be influenced by the ROC of membrane. Finally, it is shown that the ROC, and pore size of 2D membranes, play an important role in the salt rejection.

• Clean Technology
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• v.28 no.3
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• pp.249-257
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• 2022

The adsorption equilibria of nitrogen on a region of nanoporous carbonaceous adsorbent with local molecular orientation (LMO) were calculated by grand canonical Monte Carlo simulation at 77.16 K. Regions of LMO of identical size were arranged on a regular lattice with uniform spacing. Microporosity was predominately introduced to the model by removing successive out-of-plane domains from the regions of LMO and tilting pores were generated by tilting the basic structure units. This pore structure is a more realistic model than slit-shaped pores for studying adsorption in nanoporous carbon adsorbents. Their porosities, surface areas, and pore size distributions according to constrained nonlinear optimization were also reported. The adsorption in slit shaped pores was also reported for reference. In the slit shaped pores, a clear hysteresis loop was observed in pores of greater than 5 times the nitrogen molecule size, and in capillary condensation and reverse condensation, evaporation occurred immediately at one pressure. In the LMO pore model, three series of local condensations at the basal slip plane, armchair slip plane and interconnected channel were observed during adsorption at pore sizes greater than about 6 times the nitrogen molecular size. In the hysteresis loop, on the other hand, evaporation occurred at one or two pressures during desorption.

• Carbon letters
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• v.28
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• pp.47-54
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• 2018

High surface carbon aerogels with hierarchical and tunable pore structure were prepared using ionic liquid as carbon precursor via a simple salt templating method. The as-prepared carbon aerogels were characterized by nitrogen sorption measurement and scanning electron microscopy. Through instant visual observation experiments, it was found that salt eutectics not only serve as solvents, porogens, and templates, but also play an important role of foaming agents in the preparation of carbon aerogels. When the pyrolyzing temperature rises from 800 to $1000^{\circ}C$, the higher temperature deepens the carbonization reaction further to form a nanoporous interconnected fractal structure and increase the contribution of super-micropores and small mesopores and improve the specific surface area and pore volume, while having few effects on the macropores. As the mass ratio of ionic liquid to salt eutectics drops from 55% to 15%, that is, the content of salt eutectics increases, the salt eutectics gradually aggregate from ion pairs, to clusters with minimal free energy, and finally to a continuous salt phase, leading to the formation of micropores, uniform mesopores, and macropores, respectively; these processes cause BET specific surface area initially to increase but subsequently to decrease. With the mass ratio of ionic liquids to salts at 35% and carbonization temperature at $900^{\circ}C$, the specific surface area of the resultant carbon aerogels reached $2309m^2g^{-1}$. By controlling the carbonization temperature and mass ratio of the raw materials, the hierarchically porous architecture of carbon aerogels can be tuned; this advantage will promote their use in the fields of electrodes and adsorption.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2009.05a
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• pp.167-169
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• 2009

We have carried out quantitative structure and property analysis of the nanoporous structures of low dielectric constant (low-k) carbon-doped silicon oxide (SiCOH) films, which were deposited with plasma enhanced chemical vapor deposition (PECVD) using vinyltrimethylsilane (VTMS), divinyldimethylsilane (DVDMS), and tetravinylsilane (TVS) as precursor and oxygen as an oxidant gas. We found that the SiCOH film using VTMS only showed well defined spherical nanopores within the film after thermal annealing at $450^{\circ}C$ for 4 h. The average pore radius of the generated nanopores within VTMS SiCOH film was 1.21 nm with narrow size distribution of 0.2. It was noted that thermally labile $C_{x}H_{y}$ phase and Si-$CH_3$ was removed to make nanopore within the film by thermal annealing. Consequently, this induced that decrease of average electron density from 387 to $321\;nm^{-3}$ with increasing annealing temperature up to $450^{\circ}C$ and taking a longer annealing time up to 4 h. However, the other SiCOH films showed featureless scattering profiles irrespective of annealing conditions and the decreases of electron density were smaller than VTMS SiCOH film. Because, with more vinyl groups are introduced in original precursor molecule, films contain more organic phase with less volatile characteristic due to the crosslinking of vinyl groups. Collectively, the presenting findings show that the organosilane containing vinyl group was quite effective to deposit SiCOH/$C_{x}H_{y}$ dual phase films, and post annealing has an important role on generation of pores with the SiCOH film.

• Bulletin of the Korean Chemical Society
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• v.27 no.1
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• pp.65-70
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• 2006

An amperometric glucose biosensor has been developed based on the use of the nanoporous composite film of sol-gel-derived zirconia and perfluorosulfonated ionomer, Nafion, for the encapsulation of glucose oxidase (GOx) on a platinized glassy carbon electrode. Zirconium isopropoxide (ZrOPr) was used as a sol-gel precursor for the preparation of zirconia/Nafion composite film and the performance of the resulting glucose biosensor was tuned by controlling the water content in the acid-catalyzed hydrolysis of sol-gel stock solution. The presence of Nafion polymer in the sol-gel-derived zirconia in the biosensor resulted in faster response time and higher sensitivity compared to those obtained at the pure zirconia- and pure Nafion-based biosensors. Because of the nanoporous nature of the composite film, the glucose biosensor based on the zirconia/Nafion composite film can reach 95% of steady-state current less than 5 s. In addition, the biosensor responds to glucose linearly in the range of 0.03-15.08 mM with a sensitivity of 3.40 $\mu$A/mM and the detection limit of 0.037 mM (S/N = 3). Moreover, the biosensor exhibited good sensor-to-sensor reproducibility (~5%) and long-term stability (90% of its original activity retained after 4 weeks) when stored in 50 mM phosphate buffer at pH 7 at 4 ${^{\circ}C}$.

• Environmental Engineering Research
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• v.22 no.4
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• pp.401-406
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• 2017

Ammonia, $NH_3$, is a key chemical widely used in chemical industries and a toxic pollutant that impacts human health. Thus, there is a need for the development of effective adsorbents with high uptake capacities to adsorb $NH_3$. An adsorbent with a high surface area and a small pore size is generally preferred in order to have a high capacity for the removal of $NH_3$. The use inorganic nanoporous materials as gas adsorbents has increased substantially and emerged as an alternative to zeolite and activated carbon. Herein, mesoporous alumina (MA) was prepared and used as an $NH_3$ adsorbent. MA showed good pore properties such as a uniform pore size and interlinked pore system, when compared to commercial adsorbents (activated carbon, zeolite, and silica powder). MA has free hydroxyl groups, serving as useful adsorption sites for $NH_3$. In an adsorption isotherm test, MA exhibited 4.7-6.5 times higher uptake capacities for $NH_3$ than commercial adsorbents. Although the larger surface areas of adsorbents are important features of ideal adsorbents, a regular and interlinked adsorbent pore system was found to be a more crucial factor to adsorb $NH_3$.

• Korean Chemical Engineering Research
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• v.53 no.3
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• pp.357-363
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• 2015

The development of the environment-friendly tire that meets the standard requirements according to tire labeling system can be improved through using highly homogeneous silica immobilized zinc oxide nanoparticles. In this study, a considerable amount of nanoporous silica was essentially added into nano zinc oxide to improve the physiochemical properties of the formed composite. The introduction of nanoporous silica materials in the composite facilitates the improvement of the wear-resistance and increases the elasticity of the tread. Therefore, the introduction of nanoporous silica can replace carbon black as filler in the formation of composites with desirable properties for conventional green tire. Herein, mesoporous silica immobilized zinc oxide nanoparticle with desirable properties for rubber compounds was investigated. Composites with homogeneous dispersion were obtained in the absence of dispersants. The dispersion stability was controlled through varying the molar ratio, ageing time and mixing order of the reactants. A superior dispersion was achieved in the sample obtained using 0.03 mol of zinc precursor as it had the smallest grain size (50.5 nm) and then immobilized in silica aged for 10 days. Moreover, the specific surface area of this sample was the highest ($649m^2/g$).

• Journal of Electrochemical Science and Technology
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• v.12 no.4
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• pp.458-464
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• 2021

Lithium ion batteries (LIBs) is a kind of rechargeable secondary battery, developed from lithium battery, lithium ions move between the positive and negative electrodes to realize the charging and discharging of external circuits. Zeolitic imidazolate frameworks (ZIFs) are porous crystalline materials in which organic imidazole esters are cross-linked to transition metals to form a framework structure. In this article, ZIF-67 is used as a sacrificial template to prepare nano porous carbon (NPC) coated cobalt nanoparticles. The final product Co/NPC composites with complete structure, regular morphology and uniform size were obtained by this method. The conductive network of cobalt and nitrogen doped carbon can shorten the lithium ion transport path and present high conductivity. In addition, amorphous carbon has more pores that can be fully in contact with the electrolyte during charging and discharging. At the same time, it also reduces the volume expansion during the cycle and slows down the rate of capacity attenuation caused by structure collapse. Co/NPC composites first discharge specific capacity up to 3115 mA h/g, under the current density of 200 mA/g, circular 200 reversible capacity as high as 751.1 mA h/g, and the excellent rate and resistance performance. The experimental results show that the Co/NPC composite material improves the electrical conductivity and electrochemical properties of the electrode. The cobalt based ZIF-67 as the precursor has opened the way for the design of highly performance electrodes for energy storage and electrochemical catalysis.

• Korean Membrane Journal
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• v.5 no.1
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• pp.43-53
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• 2003

The selectivity of a gas in the carbon molecular sieve membrane (CMSM) can be expressed as the ratio of the product of the diffusivity and the solubility of two different gases. The diffusivity is also expressed as the product of the entropy and the total energy (kinetic and potential energy) in the nano-sized pore of the membrane. The present study calculates the entropic-energy and selectivity of penetrant gases such as H$_2$, O$_2$, N$_2$, and CO$_2$ from the gas-in-a box theory to physically analyze the diffusivity of penetrant gas in slit-shaped pore of CMSM focusing on the restriction of gas motion based on the size difference between penetrant gas pairs. The contribution of each energy term is converted to entropic term separately. By the conjugated calculation for each entropic-energy, the entropic effects on diffusivity-selectivity for gas pairs such as H$_2$/N$_2$, CO$_2$/N$_2$, and O$_2$/N$_2$ were analyzed within active pore of CMSM. In the activated diffusion domain, the calculated value of entropic-selectivity lies between 9.25 and 111.6 for H$_2$/N$_2$, between 3.36 and 6.0 for CO$_2$/N$_2$, and between 1.25 and 16.94 for O$_2$/N$_2$, respectively. The size decrement of active pore in CMSM had the direct effect on the reduction of translational entropic-energy and the contribution of vibrational entropic-energy for N$_2$, O$_2$, and H$_2$ was almost negligible. However, the vibrational entropic term of CO$_2$ might extravagantly affect on the entropic-selectivity.

• Carbon letters
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• v.10 no.3
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• pp.177-180
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• 2009

The importance of nanopore structures of carbons is shown in terms of interaction potential for various molecules including supercritical gases such as $H_2$ and $CH_4$. The key factors for adsorption of supercritical $H_2$ and $CH_4$ are shown for single wall carbon nanohorn, single wall carbon nanotube, and double wall carbon nanotube. The cluster formation of molecules is a key process for water adsorption on hydrophobic carbon nanopores. The X-ray absorption spectroscopic examination elucidates an explicit dehydration structure of ions confined in carbon nanopores.