• Applied Chemistry for Engineering
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• v.27 no.6
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• pp.590-598
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• 2016

In this study, the adsorption behavior from aqueous solution as well as kinetic and thermodynamic parameters of Acid Black 1 were investigated through batch reaction using coconut shell based granular steam activated carbon. The effects of various adsorption parameters such as pH, initial concentration, contact time, temperature were studied. To confirm the effect of pH, pHpzc measurements were analyzed followed by measuring removal efficiencies of Acid Black 1 at the pH range from 3 to 11. Experimental equilibrium adsorption data were fitted using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich adsorption isotherm. The conformity of adsorption reaction for pseudo first and second order model were evaluated through kinetic analysis. Values of enthalpy change and activation energy were also investigated through thermodynamic analysis and it was confirmed that the adsorption process was endothermic. The spontaneity of adsorption process was evaluated using the values of entropy and Gibbs free energy changes.

• Transactions of the Korean hydrogen and new energy society
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• v.9 no.3
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• pp.127-133
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• 1998

This study was conducted to know to the effect of Pd film($180{\AA}$ thick) evaporation condition on the kinetics of hydrogen absorption-desorption. The activation energy of the forward reaction, the activation energy of the backward reaction, and the enthalpy were calculated by hydrogen absorption-desorption in ${\alpha}$-phase.($25{\sim}50^{\circ}C$ temperature) The activation energy of the forward reaction of Pd film, which is made at room temperature, is $6.4{\pm}0.4$ kcal/mol H and of the backward reaction $8.4{\pm}1.5$ kcal/mol H, which yields the reaction enthalpy -2kcal/mol H. The activation energy of forward reaction of Pd film, which is made at $300^{\circ}C$, is $-0.18{\pm}0.61$ kcal/mol H and of the backward reaction $-0.17{\pm}2.3$ kcal/mol H. The sample of $300^{\circ}C$ is more stable than the sample of room temperature in its struciural compactness and resistance value but standard error of result of $300^{\circ}C$ sample is higher than sample of room temperature do.

• Journal of the Mineralogical Society of Korea
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• v.30 no.4
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• pp.161-172
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• 2017

Clay minerals play a major role in the geochemical cycles of metals in the Critical Zone, the Earth surface-layer ranging from the groundwater bottom to the tree tops. Atomistic scale research of the very fine particles can help understand the fundamental mechanisms of the important geochemical processes and possibly apply to development of hybrid nanomaterials. Molecular dynamics (MD) simulations can provide atomistic level insights into the crystal structures of clay minerals and the chemical reactivity. Classical MD simulations use a force field which is a parameter set of interatomic pair potentials. The ClayFF force field has been widely used in the MD simulations of dioctahedral clay minerals as the force field was developed mainly based on dioctahedral phyllosilicates. The ClayFF is often used also for trioctahedral mineral simulations, but disagreement exits in selection of the interatomic potential parameters, particularly for Mg atom-types of the octahedral sheet. In this study, MD simulations were performed for trioctahedral clay minerals such as brucite, lizardite, and talc, to test how the two different Mg atom types (i.e., 'mgo' or 'mgh') affect the simulation results. The structural parameters such as lattice parameters and interatomic distances were relatively insensitive to the choice of the parameter, but the vibrational power spectra of hydroxyls were more sensitive to the choice of the parameter particularly for lizardite.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2013.11a
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• pp.74-75
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• 2013

The paper study on the mechanical properties of reactive powder concrete using copper slag. A change in the replacement ratio s of copper slag was measured compressive strength and slump flow. As a results, slump flow using copper slag tend to increase slump flow with replacement ratio. As the concrete with a replacement ratio of copper slag up to 30% was found to have a compressive strength superior to that of plain.

• Resources Recycling
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• v.24 no.5
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• pp.15-21
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• 2015

Waste plastic differs in its speed of combustion owing to its variety in composition as well as kinds of plastic. This study is aimed at examining the thermal weight analysis and determination of its kinetics in order to derive the design element in pyrolysis of RPF (Refused Plastic Fuel) as the plastic solid fuel. Based on the result of TGA (Thermogravimetric analysis), kinetic characteristics were analyzed by using Kissinger method which are the most common method for obtaining activation energy, and experimental conditions of TGA were set as follows: in a nitrogen atmosphere, gas flow rate of 20 ml/min, heating rate of $5{\sim}50^{\circ}C/min$, and maximum hottest temperature of $800^{\circ}C$. The method used for determining the property of waste plastic when thermally decomposed was thought feasible as the basic data in deciding the performance, design, and optimal operating condition of the reactor in the actual reactor.

• Journal of the Mineralogical Society of Korea
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• v.26 no.2
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• pp.119-127
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• 2013

Borosilicate glass dissolution is an important chemical process that impacts the glass durability as nuclear waste form that may be used for high-level radioactive waste disposal. Experiments reported that the glass dissolution rates are strongly dependent on the bulk composition. Because some relationship exists between glass composition and molecular-structure distribution (e.g., non-bridging oxygen content of $SiO_4$ unit and averaged coordination number of B), the composition-dependent dissolution rates are attributed to the bulk structural changes corresponding to the compositional variation. We examined Na borosilicate glass structures by performing classical molecular dynamics (MD) simulations for four different chemical compositions ($xNa_2O{\cdot}B_2O_3{\cdot}ySiO_2$). Our MD simulations demonstrate that glass surfaces have significantly different chemical compositions and structures from the bulk glasses. Because glass surfaces forming an interface with solution are most likely the first dissolution-reaction occurring areas, the current MD result simply that composition-dependent glass dissolution behaviors should be understood by surface structural change upon the chemical composition change.

• Proceedings of the Korea Technical Association of the Pulp and Paper Industry Conference
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• 2011.04a
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• pp.93-99
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• 2011

Proton-NMR spectroscopic method was applied to kinetics study of concentrated sulfuric acid hydrolysis reaction. Xylan was used as model compounds. Without neutralization steps in proton-NMR methods, this analysis method is valid for analysis of xylose, furfural and formic acid in acid hydrolyzates.

• Proceedings of the Korea Water Resources Association Conference
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• 2009.05a
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• pp.2220-2224
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• 2009

하천의 수질모의를 위해서는 정상상태 모델인 QUAL2E 가 널리 사용되어 왔다. 그러나 우리나라는 기후 특성상 하절기에 강우가 집중되고 경우에 따라서는 댐등에 의해 장기간 수류의 지체현상이 발생하므로 지역 및 시기에 따라 발생하는 수질 문제가 서로 다를 수 있다. 따라서 우리나라의 대부분의 수체에서는 시간에 따라 모의를 할 수 있는 비정상 상태의 수질모델이 적용되어야 할 필요가 종종 발생한다. 미국공병단에서 개발된 CE-QUAL-W2 모델은 2차원 모델로서 수리동역학과 수질반응역학을 한데 묶어서 풀이하였다는 점에서 획기적인 변화로 볼 수 있다. 이 모델은 종방향으로 길고 수심이 깊으며 상대적으로 하폭이 좁은 형태의 수체에 적합하며 하폭방향의 수질 변화를 나타내는 데 사용되지 못하는 단점이 있다. WASP(Water Quality Analysis and Simulation Program) 은 미국 환경부에서 개발한 비정상상태 3차원 수질모델로서 세계적으로 다양한 수체에 널리 사용되어 왔다. 이 모델에서 1차원적 흐름을 예측할 수 있는 DYNHYD 라는 수리학적 부프로그램은 2차원 또는 3차원 상황에서는 사용할 수가 없었음에 따라 수리학적 고려가 빈약한 것이 이 모델의 가장 큰 약점으로 지적되어 왔다. 최근 미국 환경부는 EFDC(Environmental Fluid Dynamics Code) 라는 3차원 수리동역학 프로그램을 이용하여 대상 수체의 수리학적 거동을 모의하고 그 결과를 WASP7 에 연계시킬 수 있도록 하여 기존의 단점을 대폭 보완하였다. 본 연구에서는 금강 상류에 위치하고 있는 용담호를 대상으로 EFDC 를 이용하여 2005년 1년간 수위 및 수온성층현상을 예측하고 그 결과가 WASP 에 연결되어 사용될 수 있도록 하였다. 적절한 격자의 수를 결정하기 위하여 다양한 경우가 시행착오적으로 시험되었으며 비교적 적은 숫자의 격자로도 수위 및 수온의 모의가 가능하다는 것을 발견하였다.

• Clean Technology
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• v.20 no.1
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• pp.35-41
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• 2014

Batch adsorption studies were carried out for equilibrium, kinetic and thermodynamic parameters for quinoline yellow adsorption by granular activated carbon ($8{\times}30mesh$, $1,578m^2/g$) with varying the operating variables like initial concentration, contact time and temperature. Equilibrium adsorption data were fitted into Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherms. From estimated Langmuir constant ($R_L=0.0730{\sim}0.0854$), Freundlich constant (1/n = 0.2077~0.2268), this process could be employed as effective treatment for removal of quinoline yellow. From calculated Temkin constant (B = 15.759~21.014 J/mol) and Dubinin-Radushkevich constant (E = 1.0508~1.1514 kJ/mol), this adsorption process is physical adsorption. From kinetic experiments, the adsorption process were found to confirm to the pseudo second order model with $r^2$ > 0.99 for all concentrations and temperatures. Thermodynamic parameters like activation energy, change of free energy, enthalpy, and entropy were also calculated to predict the nature adsorption. The activation energy value (+35.137 kJ/mol) and enthalpy change (35.03 kJ/mol) indicated endothermic nature of the adsorption process. Entropy change (+134.38 J/mol K) showed that increasing disorder in process. Free energy change found that the spontaneity of process increased with increasing adsorption temperature.

• Korean Chemical Engineering Research
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• v.55 no.4
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• pp.514-519
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• 2017

Adsorption characteristics of acid green 27 dye using activated carbon were investigated as function of adsorbent dose, pH, initial concentration, contact time and temperature. Freundlich isotherm explained adsorption of acid green 27 dye very well and Freundlich separation factors (1/n=0.293~0.387) were found that this process could be employed as effective treatment method. Kinetic studies showed that the kinetic data were well described by the pseudo second-order kinetic model. Pseudo second rate constant ($k_2$) decreased with the increase in initial acid green 27 concentration. Activation energy (10.457 kJ/mol) and enthalpy (79.946 kJ/mol) indicated that adsorption process was physisorption and endothermic. Since Gibbs free energy decreased with increasing temperature, spontaneity of adsorption reaction increased with increasing temperature in the temperature range of 298 K~318 K.