• 제목/요약/키워드: molecular sorption

검색결과 37건 처리시간 0.019초

QSAR을 이용한 지방족 할로겐화합물 흡착 및 탈착 계수의 예측 (Prediction of Sorption/Desorption Parameters of Halogenated Aliphatic Compounds Using QSAR)

  • 김종오;박증석;최연돈
    • 한국환경과학회지
    • /
    • 제11권7호
    • /
    • pp.737-742
    • /
    • 2002
  • Sorption and desorption is an important phenomenon to determine the fate of halogenated aliphatic hydrocarbons in the aqueous phase. This study was conducted to develope a predictive equation capable of estimating the sorption and desorption potentials of halogenated aliphatic hydrocarbons onto the sludge from activated process, sediment, and clay. It has shown that the sorption and desorption parameters can be accurately estimated using Quantitative Structural Activity Relationship(QSAR) models based on molecular connectivity indexes of test compounds. The QSAR model could be applied to predict the sorption and desorption capacity of the other halogenated aliphatic hydrocarbons. The QSAR modeling would provide a useful tool to predict the sorption and desorption capacity without time-consuming experiments.

분자량 크기별 토양 휴믹산(HA)의 구조적 특성 및 페난트렌 흡착 반응특성 비교 (Comparison in Structural Characteristics and Phenanthrene Sorption of Molecular Size-Fractionated Humic Acids)

  • 이두희;김소희;신현상
    • 한국지하수토양환경학회지:지하수토양환경
    • /
    • 제20권7호
    • /
    • pp.70-79
    • /
    • 2015
  • A sample of soil humic acid (HA) was divided by ultrafiltration (UF) into five fractions of different molecular size (UF1: > 300, UF2: 100~300, UF3: 30~100, UF4: 10~30, UF5: 1~10 kilodaltons). Apparent average molecular weight (Mw) of the HA fractions were measured using high performance size exclusion chromatography (HPSEC), and the chemical and structural properties of the five HA fractions were characterized by elemental compositions (H/C, O/C and w ((2O + 3NH)/ C)) and ultraviolet-visible absorption ratios (SUVA, A4/6). The organic carbon normalized-sorption coefficients (Koc) for the binding of phenanthrene to the HA fractions were determined by fluorescence quenching and relationship between the sorption coefficients and structural characteristics of the HA fractions were investigated. The elemental analysis and UV-vis spectral data indicated that the HA fractions with higher molecular weights have grater aliphatic character and lower contents of oxygen, while the HA fractions with lower molecular size have greater aromatic character and molecular polarity that correspond to greater SUVA and internal oxidation values (w). The log Koc values (L/kg C) were gradual increased from 4.45 for UF5 to 4.87 for UF1. The correlation study between the structural descriptors of the HA fractions and log Koc values of phenanthrene show that the magnitude of Koc values positively correlated with $M_w$ and H/C, while negatively correlated with the independent descriptors of the O/C, w, SUVA and A4/6.

종이내 수분확산 (제3보) -종이 표면의 수증기-흡습성에 관한 이론적 고찰- (Molecular Diffusion of Water in Paper(III) -Theoretical analysis on vapor sorption properties of fiber surface -)

  • 윤성훈;전양;박종문
    • 펄프종이기술
    • /
    • 제31권1호
    • /
    • pp.61-71
    • /
    • 1999
  • The study aimed at the theoretical analysis of vapor sorption properties of, pp.rmaking fibers. Water vapor affinity and sorption thermodynamic properties of fiber constituents were evaluated based on Henry's law and Hildebrand's solubility theory. Theoretical equilibrium moisture content(ThEMC) on fiber surface was estimated using functional group contribution. Crystallinity of cellulose in fiber significantly controlled the water vapor solubility. Comparisons of the measured equilibrium moisture content data and the estimated ThEMC data coincidently suggested the fact that crystallinity of cellulose in fibers was around 60% to 70%. Carbohydrates constituents including amorphous cellulose and hemicellulose in fibers showed higher vapor solubility than lignin molecules. High correlation existed between ThEMC and vapor solubility as well as between ThEMC and solubility parameter. In the thermodynamic analysis on water-vapor sorption process in fibers, the sorption enthalpy increased as RH increased, whereas sorption entropy and free energy decreased with increasing RH.

  • PDF

Free molecule transmission probability of a conical tube with wall sorption

  • 인상렬
    • Journal of Korean Vacuum Science & Technology
    • /
    • 제2권1호
    • /
    • pp.1-8
    • /
    • 1998
  • The uniform distributed pumping model is used to derive analytic expressions of the pressure profile for the molecular flow regime in linearly tapered or flared(conical or pyramidal) tubes with wall sorption. The concept of transmission conductance for sticky tubes of arbitrary shape is newly introduced to calculate the transmission probability using the pressure profile. The transmission probability obtained analytically for a conical sticky tube is compared with that from the Monte Carlo simulation.

종이내 수분확산 (제4보) - 종이의 비정상상태 수분확산 모델과 섬유상 수분확산 계수 - (Molecular Diffusion of Water in Paper (IV) - Mathematical model and fiber-phase moisture diffusivities for unsteady-state moisture diffusion through paper substrates -)

  • 윤성훈;박종문;이병철
    • 펄프종이기술
    • /
    • 제34권3호
    • /
    • pp.17-24
    • /
    • 2002
  • An unsteady-state moisture diffusion through cellulosic fibers in paper was characterized from the moisture sorption experiment and the mathematical modeling. The sorption experiment was conducted by exposing thin dry paper specimens to a constant temperature-humidity environment. Oven dried blotting papers and filter papers were used as test samples and the gains of their weights were constantly monitored and recorded as a function of sorption time. For a mathematical approach, the moisture transport was assumed to be an one-dimensional diffusion in thickness direction through the geometrically symmetric structure of paper. The model was asymptotically simplified with a short-term approximation. It gave us a new insight into the moisture uptake phenomena as a function of square root of sorption time. The fiber-phase moisture diffusivities(FPMD) of paper samples were then determined by correlating the experimental data with the unsteady-state diffusion model obtained. Their values were found to be on the order of magnitude of $10^{-6}-10^{-7}cm^2$/min., which were equivalent to the hypothetical effective diffusion coefficients at the limit of zero porosity. The moisture sorption curve predicted from the model fairly agreed with that obtained from the experiment at some limited initial stages of the moisture uptake process. The FPMD value of paper significantly varied depending upon the current moisture content of paper. The mean FPMD was about 0.7-0.8 times as large as the short-term approximated FPMD.

Review on innovative small refrigeration methods for sub-Kelvin cooling

  • Dohoon, Kwon;Junhyuk, Bae;Sangkwon, Jeong
    • 한국초전도ㆍ저온공학회논문지
    • /
    • 제24권4호
    • /
    • pp.71-77
    • /
    • 2022
  • Sub-Kelvin cooling has been generally demanded for the fields of low temperature physics, such as physical property measurements, astronomical detection, and quantum computing. The refrigeration system with a small size can be appropriately introduced when the measurement system does not require a high cooling capacity at sub-Kelvin temperature. The dilution refrigerator which is a common method to reach sub-Kelvin, however, must possess a large 3He circulation equipment at room temperature. As alternatives, a sorption refrigerator and a magnetic refrigerator can be adopted for sub-Kelvin cooling. This paper describes those coolers which have been developed by various research groups. Furthermore, a cold-cycle dilution refrigerator of which the size of the 3He circulation system is minimized, is also introduced. Subsequently, a new concept of dilution refrigerator is proposed by our group. The suggested cooler can achieve sub-Kelvin temperature with a small size since it does not require any recuperator and turbo-molecular vacuum pump. Its architecture allows the compact configuration to reach sub-Kelvin temperature by integrating the sorption pump and the magnetic refrigerators. Therefore, it may be suitably utilized in the low temperature experiments requiring low cooling capacity.

토양 휴민(Humin)의 분자구조 특성과 Phenanthrene 흡착상수와의 상관관계에 대한 연구 (A Study on the Correlations between Molecular Structures of Soil Humins and Sorption Properties of Phenanthrene)

  • 이두희;엄원숙;신현상
    • 대한환경공학회지
    • /
    • 제35권12호
    • /
    • pp.897-905
    • /
    • 2013
  • 본 연구에서는 불용성 토양 휴믹물질(HS)인 토양 휴민(Hu)을 대상으로 페난트린(PHE)과의 흡착상수($K_{OC}$, n)를 조사하였고, 각 휴민 분자의 물질특성과 흡착상수와의 상관관계를 조사하였다. 토양 휴민은 한라산 토양을 포함한 국내 5개 지역의 토양과 국제휴믹학회(IHSS) 표준토양 및 이탄토(Peat)에서 분리한 7종을 사용하였으며, 원소성분비 및 고체 $^{13}C$ NMR을 이용한 탄소형태별 분포(%) 등을 조사하였다. 토양 휴민은 알킬탄소를 주요 성분으로 하는 높은 지방족 탄소함량(57.1~72.3%)을 가진 분자구조 특성을 보였으며, 추출원별 알킬탄소의 함량($C_{Al-H,C}$, %)은 화강암 기원의 토양 Hu (26~42) > 화산재토양 기원의 HL Hu (23.9) > Peat Hu (14.0)의 순으로 나타났다. 토양 휴민의 물질특성과 PHE 흡착상수의 상관성 해석결과, 유기탄소 표준화분배계수($K_{OC}$, mL/g) 값은 알킬탄소 함량(%)과 높은 상관성($r^2$ = 0.77, p < 0.05)을 보인 반면, Freundlich plot을 통해 얻은 비선형 흡착상수(n)는 H,C-치환 방향족탄소 함량($C_{Ar-H,C}$, %)과 높은 상관성($r^2$ = (-)0.74, p < 0.05)을 보였다. $K_{OC}$ 값은 분자 극성도(PI, N+O)/C)와도 높은 상관성($r^2$ = (-)0.74, p < 0.1)을 보여, 분자극성도 값도 소수성유기물의 흡착능 예측에 유용한 물질특성 인자임을 확인하였다. 이상의 결과로 부터 토양휴민 분자 내 알킬탄소의 함량이 높거나, 분자극성도가 낮을수록 PHE의 흡착능이 증가하며, 방향족탄소 함량이 높을수록 흡착의 비선형성(nonlinear sorption)이 증가하는 경향이 있음을 알 수 있었으며, 이러한 토양 휴민의 PHE 흡착특성은 dual reactive mode 흡착모델에 적용하여 해석하였다.

스티렌 유도체를 이용한 비불소계 고분자 전해질막의 산화적 안정성 개선 (Improvement of Oxidative Stability for Non-fluorinated Membranes Prepared by Substituted Styrene Monomers)

  • 문승현;우중제;푸롱창;서석준;윤성현
    • 멤브레인
    • /
    • 제17권4호
    • /
    • pp.294-301
    • /
    • 2007
  • 비불소계 스티렌 고분자 전해질 막의 산화안정성을 개선하기 위해 p-methyl styrene, t-butyl styrene, ${\alpha}-methyl$ styrene과 같은 스티렌 유도체를 단독 또는 복합으로 도입하고 모노머 흡수법을 이용하여 막을 제조하였다. 제조된 막의 특성분석으로 중합무게비, 함수율, 이온교환용량, 수소이온 전도도 및 가속조건에서의 산화안정성을 조사하였다. 사용된 스티렌 유도체의 구조 및 특성에 따라 모노머 흡수, 중합 및 술폰화 단계가 영향을 받는 것으로 나타났다. 산화적으로 안정한 고분자를 형성하는 ${\alpha}-methyl$ styrene은 중합 단계가 어렵기 때문에 스티렌 또는p-methyl styrene과 공중합하여 제조하였고 p-methyl styrene과 공중합된 ${\alpha}-methyl$ styrene 막은 스티렌과 공중합한 막보다 높은 전도도 및 안정성을 나타내었으나 낮은 분자량으로 인해 안정성의 개선을 크게 보이지 못하였다. 벤젠 고리에 큰 치환기를 갖는 t-butyl styrene은 모노머 흡수 및 술폰화과정이 용이하지 않기 때문에 제조된 막의 성능이 감소하였으며 이를 p-methyl styrene과 공중합할 때 우수한 성능과 스티렌막보다 크게 개선된 안정성을 보였다.

Kinetics of Water Vapor Absorption by Sodium Alginate-based Films

  • Seog, Eun-Ju;Zuo, Li;Lee, Jun-Ho;Rhim, Jong-Whan
    • Preventive Nutrition and Food Science
    • /
    • 제13권1호
    • /
    • pp.28-32
    • /
    • 2008
  • Water vapor sorption by sodium alginate-based films may result in swelling and conformational changes in the molecular structure and affecting the water vapor barrier properties. Sodium alginate film specimens were dried in a vacuum freeze dryer and their moisture content was determined by an air-oven method. The water vapor absorption was determined at two different levels of water activities (0.727 and 0.995) and at three temperatures (10, 20, and $30^{\circ}C$), and kinetics were analyzed using a simple empirical model. Reasonably good straight lines were obtained with plotting of 1/($m-m_0$) vs 1/t. It was found that water vapor absorption kinetics of sodium alginate films were accurately described by a simple empirical model. The rate of water vapor sorption increased with increase in temperature and it showed temperature dependency following the Arrhenius equation. The activation energies varied from 49.18$\sim$149.55 kJ/mol depending on the relative humidity.