• Environmental Analysis Health and Toxicology
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• 제18권1호
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• pp.63-67
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• 2003

Benzoic acid is produced about 700 tons/year in Korea as of 1998 survey. Most is used as a stabilizer in the processes of synthesis of pharmaceuticals and dyes. It is also used for ingradient of paint, disinfections, and antifungals. Due to the antioxidant activity of benzoic acid, the chemical is also used as food preservatives. Although the chemical is widely used in Korea, exposure levels in air, water, soil or sediment have not been monitored or estimated so that risk evaluation of benzoic acid was not possible. In this study, distribution of the chemical among environmental media was estimated using EQC model based on the chemical-physical properties. In Level I and II of which the chemical are hypothesized in equilibrium and no transfer through the media, more than 93％ of benzoic acid are estimated to be distributed in water. However, in Level III of which non-equilibrium and intermedia transfer could be occurred, the chemical is estimated to distributed to soil, 64％ and water,35% as of total amount.

• Biotechnology and Bioprocess Engineering:BBE
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• 제11권1호
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• pp.61-66
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• 2006

The simple Langmuir isotherm is frequently employed to describe the equilibrium behavior of protein adsorption on a wide variety of adsorbents. The two adjustable parameters of the Langmuir isotherm - the saturation capacity, or $q_m$, and the dissociation constant, $K_d$ - are usually estimated by fitting the isotherm equation to the equilibrium data acquired from batch equilibration experiments. In this study, we have evaluated the possibility of estimating $q_m$ and $K_d$ for the adsorption of bovine serum albumin to a cation exchanger using batch kinetic data. A rate model predicated on the kinetic form of the Langmuir isotherm, with three adjustable parameters ($q_m,\;K_d$, and a rate constant), was fitted to a single kinetic profile. The value of $q_m$ determined as the result of this approach was quantitatively consistent with the $q_m$ value derived from the traditional batch equilibrium data. However, the $K_d$ value could not be retrieved from the kinetic profile, as the model fit proved insensitive to this parameter. Sensitivity analysis provided significant insight into the identifiability of the three model parameters.

• 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.

• Bulletin of the Korean Chemical Society
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• 제3권1호
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• pp.5-9
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• 1982

Reactions of cobalt(II) chloride with 2,2'-dipyridylamine (dpa) in alcoholic solutions afford the complex of octahedral $Co(dpa)_2Cl_2{\cdot}CH_3OH$. The octahedral complex is converted to tetrahedral $Co(dpa)Cl_2$ in certain solvents or at the elevated temperature, and the tetrahedral complex is changed to the octahedral one with added dpa. The electronic spectra of the complexes in DMF, measured with various concentrations of 2,2'-dipyridylamine, establish the equilibrium; $td-Co(dpa)Cl_2+dpa_\rightleftarrows^Koh-Co(dpa)_2Cl_2$. The equilibrium constants determined by the analysis of the visible spectra are 6.4, 3.6 and 2.0 $M^{-1}$, respectively, at 25.5, 38.0 and $49.0^{\circ}C,\;with\;{\Delta}H^{\circ}\;and\;{\Delta}S^{\circ}$being -9.5 kcal/mole and -28 eu.

• Korean Chemical Engineering Research
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• 제45권3호
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• pp.219-225
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• 2007

비이온 계면활성제 $C_{12}E_8$ 수용액의 탄화수소 오일에 대한 가용화도(equilibrium solubilization capacity)를 $30^{\circ}C$에서 기체 크로마토그래피(GC)를 이용하여 측정하였다. 탄화수소 오일의 가용화도를 실험에 사용한 계면활성제의 농도로 나눈 값으로 표시한 molar solubilization ratio(MSR)는 순수한 단일 성분의 탄화수소 오일 경우, 탄화수소 오일의 탄소수(ACN)가 증가함에 따라 거의 선형적으로 감소함을 알 수 있었다. 한편 탄화수소 오일의 이성분 시스템은 사용한 두 탄화수소 오일의 탄소수(alkane carbon number, ACN) 차이에 따라 선택적 가용화 혹은 비선택적 가용화 경향을 나타내었다. 본 연구에서 가용화도 실험을 수행한 n-octane/n-nonane과 n-nonane/n-decane 혼합물 시스템의 경우, 비선택적 (non-selective) 가용화 경향을 나타내었으며, 반면에 n-octane/n-decane 혼합물 시스템의 경우에는 선택적(selective) 가용화 경향을 따르는 것을 GC 분석 결과로부터 확인할 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제31권7호
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• pp.1920-1926
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• 2010

Yoon et $al.^1$ presented an approximate mathmatical model to describe ammonia removal from an experimental batch reactor system with gaseous headspace. The development of the model was initially based on assuming instantaneous equilibrium between ammonia in the aqueous and gas phases. In the model, a "saturation factor, $\beta$" was defined as a constant and used to check whether the equilibrium assumption was appropriate. The authors used the trends established by the estimated $\beta$ values to conclude that the equilibrium assumption was not valid. The authors presented valuable experimental results obtained using a carefully designed system and the model used to analyze the results accounted for the following effects: speciation of ammonia between $NH_3$ and $NH^+_4$ as a function of pH; temperature dependence of the reactions constants; and air flow rate. In this article, an alternative model based on the exact solution of the governing mass-balance differential equations was developed and used to describe ammonia removal without relying on the use of the saturation factor. The modified model was also extended to mathematically describe the pH dependence of the ammonia removal rate, in addition to accounting for the speciation of ammonia, temperature dependence of reactions constants, and air flow rate. The modified model was used to extend the analysis of the original experimental data presented by Yoon et $al.^1$ and the results matched the theory in an excellent manner.

• Environmental Analysis Health and Toxicology
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• 제16권3호
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• pp.133-137
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• 2001

Acetanilide is a High Production Volume Chemical, which is produced about 2,300 tons/year in Korea as of 1998 survey. Most is used as an intermediate for synthesis of pharmaceuticals and dyes and the chemical is one of seven chemicals of which human and environmental risks are being assessed by National Institute of Environmental Research under the frame of OECD SIDS program. The chemical is water soluble (4 g/1 at 20$\^{C}$) and readily biodegradable (68.7％). Partition coefficiency (Log Pow) is 1.16 at 23$\^{C}$ so that the chemical has a low potential for bioaccumulation. The acute toxicities of algae, daphnia and fish are not high. The 72 hr-EｂC50 of algae is 13.5 mg/1,48 hr-EC50 of daphnia is over 100 mg/1 and 96 hr-LC50 of Oryzias latipes is over 100mg/1. Regarding the exposure, levels in air, water, soil or sediment have not been monitored or estimated so that risk evaluation of acetanilide was not possible. In this study, distribution of the chemical among environmental media was estimated using EQC model based on the chemical-physical properties. In Level I and IIof which the chemical are hypothesized in equilibrium and no transfer through the media, more than 98％ of acetanilide are estimated to be distributed in water. However, in Level Ⅲ of which non-equilibrium and intermedia transfer could be occurred, the chemical is estimated to distributed to soil as 51.8％ and water as 47.8％ as of total amount.

• Carbon letters
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• 제3권4호
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• pp.219-225
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• 2002

The two-step surface modifications of activated carbon was carried out to improve the adsorption capacity of toxic heavy metal ions in liquid phase. Physical and chemical properties of the as-received activated carbon (AC) and two kinds of surface-modified activated carbons ($1^{st}AC$ and $2^{nd}AC$) were evaluated through the BET analysis, surface acidity, and oxides measurements. Specific surface area and pore volume did not significantly change, but surface oxide-group remarkably increased by the surface modification. Equilibrium and batch adsorptions of the various metals, such as Pb, Cd, and Cr, using AC, $1^{st}AC$, and $2^{nd}AC$ were performed at initial pH 5. The adsorption capacity and rate of $2^{nd}AC$ were higher than those of AC and $1^{st}AC$. The carboxylic/sodium carboxylate complex groups were developed from the two-step surface modification of activated carbon, which strongly affected the adsorption of metal ions.

• 한국추진공학회지
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• 제9권1호
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• pp.1-8
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• 2005

설계단계에서 수행되는 액체로켓엔진의 추력실 형상설계와 성능예측을 위하여 화학평형을 고려한 축대칭 압축성 해석코드를 개발하였다. 사용자의 편리함과 효율성에 중점을 두었으며, 형상파라미터의 입력값에 따라 자동으로 격자를 생성하고 연소실 조건은 추진제 조합, 연소압 그리고 혼합비를 지정함으로서 내부에서 계산하게 된다. 따라서 설계자는 추력실 형상 및 작동조건을 변화시켜 각각의 설계변수가 추력성능에 미치는 영향을 빠르고 손쉽게 파악할 수 있도록 하였다. CEA의 결과, JPL 노즐의 실험결과, 두 종류의 LRE 실제 엔진 자료, 그리고 KSR-III의 설계점 및 탈설계점 연소시험결과와 비교함으로서, 다양한 측면에서 해석코드의 정확도와 적용성을 평가하였다.

• 항공우주기술
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• 제7권2호
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• pp.157-161
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• 2008

본 연구에서는 액체로켓엔진의 가스발생기와 연소기의 연소현상을 화학평형의 관점으로 접근하여 주어진 압력과 혼합비 하에서 연소가스의 화학조성을 Gibbs 자유에너지 최소화기법을 이용하여 계산할 수 있는 프로그램의 개발을 다루었다. 기존에 개발되어 연소해석에 광범위하게 사용되고 있는 NASA의 CEA code와의 해석결과 비교를 통하여 새로 개발된 연소해석 프로그램의 정확성을 검증하였다.