• Title/Summary/Keyword: molecular sorption

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

  • 김종오;박증석;최연돈
    • Journal of Environmental Science International
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    • v.11 no.7
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    • pp.737-742
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    • 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.

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

  • Lee, Doo-Hee;Kim, So-Hui;Shin, Hyun-Sang
    • Journal of Soil and Groundwater Environment
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    • v.20 no.7
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    • pp.70-79
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    • 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.

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

  • Yoon, Sung-Hoon;Jeon, Yang;Park, Jong-Moon
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.31 no.1
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    • pp.61-71
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    • 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.

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Free molecule transmission probability of a conical tube with wall sorption

  • 인상렬
    • Journal of Korean Vacuum Science & Technology
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    • v.2 no.1
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    • pp.1-8
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    • 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.

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

  • 윤성훈;박종문;이병철
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.34 no.3
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    • pp.17-24
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    • 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
    • Progress in Superconductivity and Cryogenics
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    • v.24 no.4
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    • pp.71-77
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    • 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.

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

  • Lee, Doo-Hee;Eom, Won-Suk;Shin, Hyun-Sang
    • Journal of Korean Society of Environmental Engineers
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    • v.35 no.12
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    • pp.897-905
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    • 2013
  • In this study, sorption coefficients (${\log}K_{OC}$, n) for the binding of phenanthrene (PHE) to soil humins, insoluble fraction of soil humc substances (HS), were determined and relationship between the sorption coefficients and structural characteristics of the soil humins were investigated. The soil humins used in the present study were isolated from 7 different soils including 5 domestic soils, an IHSS standard and a peat soil, and characterized by elemental analysis and CPMAS $^{13}C$ NMR method. $^{13}C$ NMR spectral features indicate that the soil humins are mainly made up of aliphatic carbons (57.1~72.3% in total carbon) with high alkyl-C moiety, and the alkyl-C contents ($C_{Al-H,C}$, %) was in order of granite soil Hu (26~42%) > volcanic ash soil, HL Hu (23.9%) > Peat Hu (14.0%). The results of correlation study show that a positive relationship ($r^2$ = 0.77, p < 0.05) between organic carbon normalized-sorption coefficients ($K_{OC}$, mL/g) and alkyl-C contents($C_{Al-H,C}$, %), while negative relationship ($r^2$ = (-)0.74, p < 0.05) between Freundlich sorption parameter (n) and H,C-substituted aromatic carbon contents ($C_{Ar-H,C}$, %). The magnitude of $K_{OC}$ values are also negatively well correlated with polarity index (e.g., PI, N + O)/C) ($r^2$ = (-)0.74, p < 0.1). These results suggest that the binding capacity (e.g., $K_{OC}$) for PHE is increased in soil humin molecules having high contents of alkyl-C or lower polarity, and nonlinear sorption for PHE increased as the H,C-substituted aromatic carbon contents ($C_{Ar-H,C}$, %) in the soil humins increased. The PHE sorption characteristics on soil humins are discussed based on the dual reactive mode of sorption model.

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

  • Moon, Seung-Hyeon;Woo, Jung-Je;Fu, Rong-Qiang;Seo, Seok-Jun;Yun, Sung-Hyun
    • Membrane Journal
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    • v.17 no.4
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    • pp.294-301
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    • 2007
  • To improve oxidative stability of non-fluorinated styrene-based polymer electrolyte membranes, copolymerized membranes were prepared using styrene derivatives such as p-methylstyrene, t-butylstyrene, and ${\alpha}-methylstyrene$ by monomer sorption method. Prepared membrane was characterized by measurement of weight gain ratio, water content, ion-exchange capacity, proton conductivity, and oxidative stability under the accelerated condition. It was found that each step of monomer sorption method including sorption, polymerization and sulfonation could be affected by the properties and the structures of styrenederivatives. Due to difficulty of polymerization, ${\alpha}$-methylstyrene was copolymerized with styrene or p-methylstyrene. Prepared membrane using ${\alpha}-methylstyrene$ and styrene showed higher performance and stability comparing to copolymerized membrane with styrene. However, copolymerized membranes with ${\alpha}-methylstyrene$ did not showed much improved oxidative stability comparing to styrene membrane due to their lower molecular weight. The t-butylstyrene membrane showed a low performance due to substituted bulky-butyl group which prevents sorption and sulfonation reaction. However, copolymerized t-butylstyrene membranes with p-methylstyrene showed good performance and much improved stability than the styrene membranes.

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
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    • v.13 no.1
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    • pp.28-32
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    • 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.