• Korean Journal of Crystallography
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• v.6 no.1
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• pp.43-48
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• 1995

The crystal structure of P-toluenesulfonanilide, C13H13NO2S is monoclinic, space group P21/c, a=8.777(1)Å, b=9.784(2)Å, c=15.139(2)Å, β=99.00(1)°, Z=4, V=1284.0(6)Å3, Dc=1.28g/cm33, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=520, Temperature : 293±3K, R=0.038 for 711 Fo<3.0σ unique observed reflection. The structure was determuned by direct method and refined by full-matrix least squares refinement. Two benzene rings have the dihedral angle of 68.4°. Moleculs are accumulated according to the c axis with two fold screw and contacted by van der Walls force.

• Applied Chemistry for Engineering
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• v.32 no.5
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• pp.504-508
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• 2021

In this study, the effect of molecular features of guest molecules on the structure, property, and formation of poly(vinyl alcohol) (PVA)/beta-cyclodextrin (bCD) inclusion compound hybrid films was investigated using three types of guest molecules such as hydroquinone (HQ), arbutin (AB), and tranexamic acid (TA). First, the successful formation of inclusion compounds between bCD and the guest molecules, and polymer/inclusion compound hybrid were proved using Raman spectroscopy. The effect of bCD-based inclusion compounds on the structure and property of PVA matrix composites containing inclusion compounds was also studied using X-ray diffraction (XRD) and thermal analyses such as differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). It was notable that the effect of TA to the crystalline structure of the PVA was significantly different from that of using other guest molecules including HQ and AB. It was also supported by a simple molecular simulation result. This article will be a good example for demonstrating the effect of molecular characteristics on the inclusion compound formation in polymer films, which can provide important information for relevant future research.

• Journal of the Korean Chemical Society
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• v.64 no.6
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• pp.350-353
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• 2020

The validity of the calculation method based on the local mode in hydrogen-bonded water molecules was investigated by comparing the frequencies of the local and normal modes of OH stretching vibration in water molecules. By calculating a monomer, dimer, and trimer of water molecules using a quantum chemical ab initio theory, we examined how the frequencies of the local and normal modes and the anharmonicity of local modes vary with molecular cluster size. It was shown that, as the number of molecules increases from monomer to trimer, the anharmonicity of OH bonds increases and the difference between local and normal mode frequencies decreases. This confirms that local-mode-based calculations that can easily handle the anharmonicity can be appropriate for the calculation of the OH stretching frequency of water molecules in the condensed phase.

• Korean Journal of Crystallography
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• v.5 no.2
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• pp.108-112
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• 1994

C19H20O5, Mr=314.337, triclinic,PI, a=10.291(2)A, b=11.218(3)A, c=3.059(1)A, α=74.54(2)°, β=1148.84(1)°, r=109.84(2)°, V=883.283(2)A3, λ(Mo Kα)=0.71069A, μ=0.47 mm-1, F(000)=324, 296K, Z=2, Dx=1.18Mgm-3. Final R=0.0580 for 1637[F>3σ(F)]unique refledtions. α,β-diphenylsuccinic acid, C16H14O4, are connedted with the solvent actone by hydrogen bond O(4)-H˙˙˙O(5), forming a dimer related by related by centrosymmentry thorough intermolecualr carboxylic hydrogen bond O(1)-H˙˙˙O(2)(-x,-y,-z). The nearest distance 3.288A[O(2)˙˙˙O(2)(-x,-y,-z)] between the dimers shows that the packing of the dimer is govermed by van der Waals'force.

• Polymer(Korea)
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• v.25 no.5
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• pp.649-656
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• 2001

Miscibility of poly(4-vinylpyridine) (P4VP) blends with poly(vinyl acetate-co-vinyl alcohol) (VAc-VAL copolymers) was investigated as a function of comonomer composition of VAc-VAL copolymers. Differential scanning calorimetry (DSC) and thermo-optical microscopic (TOM) analysis confirmed that P4VP is miscible with VAc-VAL copolymers containing more than 30 mole% VAL. Fourier transform inflated (FT-IR) spectroscopic analysis revealed that the strong intermolecular hydrongen bonding interaction between the vinylpyridine and VAL hydroxyl group was formed. Theoretical phase diagram was constructed by the calculation using the Association model, a thermodynamic model for hydrogen-bonded polymer blend systems developed by Coleman et al. The calculated theoretical binodal phase diagrams were in good agreement with the experimentally determined cloud point curves.

• Elastomers and Composites
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• v.44 no.1
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• pp.63-68
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• 2009

Recently, much attention has focused on the permanent deformation of roads in hot summer and cracks in cold winter, which are detrimental to safe driving. This leads to necessity of modification of asphalt to resist those deformation. In this study, a type of modified asphalt was prepared by addition of a photoinitiator which is activated by ultraviolet lay. The mechanical and rheololgical properties of photoinitiator-modified asphalt were examined using UTM and rheometer. Results showed that the modified asphalt was effected by ultraviolet and thus tensile strength and storage modulus increased, due to molecular attraction, with initiator content and irradiation dose. Thermal analysis showed less weight loss upon photoinitiator-modification and this indicated that the molecular attraction is the result of cross linking reaction between asphalt molecules induced by photoinitiator. According to long term ultraviolet curing test, properties of the photoinitiator-modified asphalt did not decrease or even increase for 20 years. This indicates that useful life of the asphalt could be extended by addition of photoinitiator.

• Elastomers and Composites
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• v.49 no.2
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• pp.134-143
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• 2014

Polymers are introduced to neat asphalt to prepare self-healing asphalt. The polymers are Surlyn, Nylon and polyethyleneterephtalate(PET). Since they are known as having high intermolecular force, they have high processing temperature. Therefore they are hardly introduced into the asphalt as bulk state. So in this study, they are introduced as solutions. Polymer-modified asphalts showed excellent modification effect and also healing effect. 5% polymer added asphalt showed more than 18% increased tensile strength. This tensile strength increment can be explained by polymer's intermolecular forces. Especially Surlyn interacts with asphalt molecules by hydrogen bonding and also with metals in asphalt by ionic bonding. When it comes to healing aspect the healing efficiency of Surlyn increased to 138% based on tensile strength. That of PET increased to 141% based on complex modulus and in case of Nylon it increased to 131% based on impact strength. This tells that in dealing with healing efficiency the important considering factors are not only the intermolecular forces of the polymers but also the interaction between the polymer and asphalt molecules.

• Journal of the Korean Chemical Society
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• v.51 no.4
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• pp.312-317
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• 2007

Performing random number simulations, we approximated that the distribution of the number of ways for arranging molecules randomly on a lattice is a normal distributon for N12, the number of interactions between the nearest neighbors of different molecules. From this distribution, an approximate equation of the excess Gibbs energy GE for a lattice solution of nonrandom mixing was derived. Using the equation, liquid-vapor equilibria of several binary solutions were calculated and compared with the calculated result of other equations.

• Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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• 1998.04a
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• pp.342-346
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• 1998

최근의 자동차엔진에서 사용되는 윤활유에는 여러 가지 첨가물이 사용된다. 특히 고분자량 폴리머계의 점도 지수 향상제를 윤활유의 원유에 첨가함으로써 온도 증가에 따른 점도 불안정성을 방지하는 다등급 윤활유 성격을 얻을 수 있다. 그러나 이러한 고분자량 폴리머계의 첨가물은 고온의 엔진 운전 조건에서 윤활유의 점도 안정성을 보장해줌에도 불구하고 엔진 부품들의 정상적인 운동 속도에서도($1-^6 S^{-1}$) 고 전단 변형율 속도로 인하여 유막 감소 효과를 발생 시킨다. 또한 이 첨가제들은 엔진 부품의 마찰 표면에 큰 전단 응력을 지닌 끈끈한 형태의 경계막을 형성한다. 고분자량 폴리머계의 점도 지수 향상제에 대한 예기치 못한 영향은 유막 감소 효과로 인하여 엔진 부품간의 마모를 증가 시키고 점도의 감소로 마찰을 감소 시키는 반면 경계막으로 인하여 고체면이 보호를 받는데 있다. 이러한 유막 형성의 물리적인 개념에 대하여 고체면의 끈끈한 경계막의 존재 효과와 두 경계막 사이에서 일어나는 유막 감소 효과를 표현할 수 있는 현실적인 해석의 필요성이 제기된다. 본 연구는 최근에 많이 쓰이고 있는 점도 향상제가 첨가된 윤활유가 자동차 밸브 트레인 시스템에서 유막 형성에 미치는 영향을 마찰 효율과 마모 방지의 입장에서 고찰하였다.

• 한국생물공학회:학술대회논문집
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• 2000.11a
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• pp.277-280
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• 2000

Rhodospirillum rubrum KCTC 1372 produced hydrogen from glucose for first 48hrs culture under the anaerobic photosynthetic conditions, and after 48hrs culture the hydrogen production was decreased by the accumulation of producing organic acids in broth. Only 41% of glucose was consumed and 143mL/day/L hydrogen were produced after 96hrs culture. However the hydrogen production and glucose consumption were substantially increased when the pH of the culture broth were controlled to 6.8-7.2. After 96hrs culture, 450mL/day/L hydrogen were produced, and about 80% glucose was consumed. Specific hydrogen production rate was 48.33mL/hr/g cells under pH not controlled, but 45.42mL/hr/g cells under pH controlled.