Viscosity of Liquids under High Pressures

Wonsoo Kim,Hyungsuk Pak,Tong-Seek Chair Korean Chemical Society 1990 Bulletin of the Korean Chemical Society Vol.11 No.1

By using Pak's theory of liquid, a phenomenological theory of viscosity proposed by the authors is applied to liquids under high pressures. The calculated viscosities for various simple substances are in good agreements with those of the observed values over wide pressure ranges.

A Statistical Theory of Conformational Properties of Amphiphile Molecules at the Air-Water Interface

Young Shang Pak,Hyungsuk Pak Korean Chemical Society 1991 Bulletin of the Korean Chemical Society Vol.12 No.2

A lattice mean field theory is developed to investigate the conformational properties of monolayer amphiphiles at the air-water interface. By generalizing Dill and Cantor's method and by extending Whittington's recurrence equation, we derive the supermatrix recurrence equation which is applied to calculation of various segment density profiles and order parameter, etc. In deriving the equation, we incorporated the chain stiffness effect and the chain connectivity which are distinguished features of linear chain molecule. Our result shows that, as the surface coverage $\sigma$ increases the chain ordering process with respect to vertical axis of the lattice system becomes dominant.

Theory of Liquid Water

박병석,Pak Hyungsuk Korean Chemical Society 1976 대한화학회지 Vol.20 No.6

A theory of liquid water is developed by assuming that the molecules in the liquid state have solid-like and gas-like degrees of freedom. The spectroscopic data are used in assigning the vibrational frequencies of solid-like molecules. The calculated values of molar volume, vapor pressure, entropy, entropy of vaporization, expansion coefficient, compressibility, heat capacities at constant volume and at constant pressure, surface tension and critical point properties are all in excellent agreement with the observed data. 액체분자는 고체 및 기체와 같은 자유도를 갖는다는 가정하에 물에 관한 이론을 얻었다. 고체와 같은 분자의 진동수를 알아내는 데에 분광학적인 데이타를 이용하였다. 몰부피, 증기압, 엔트로피, 증발 엔트로피, 팽찰률, 압축률, 일정한 부피 및 일정한 압력하에서의 열용량, 표면장력, 임계점등을 계산한 결과 모두가 실험치와 아주 잘 일치하였다.

Surface Tension of Liquid Water

박형석,장세헌,Hyungsuk Pak,Seihun Chang Korean Chemical Society 1964 대한화학회지 Vol.8 No.3

물의 분자는 쌍극자를 가졌기 때문에 맨 위의 표면층에 있는 분자들은 다소간의 분자 배열을 하게 되어 분자의 회전에 영향을 줄 것이라고 생각되며, 한편 그 아랫층에 있는 분자들은 거의 균일한 장내에 있으므로 액체 내부의 분자 환경과 거의 비슷할 것이다. 이러한 표면 구조에 입각하여 앞서 저자들이 제안한 물의 구조에 관한 이론을 적용시켜서 물의 표면장력을 계산한 결과 여러 온도에서 측정치와의 좋은 일치를 보여주었다. Considering the molecular orientation on the first surface layer and applying the significant structure theory of liquid water proposed by the authors in the previous paper, the surface tension of liquid water is calculated for various temperatures which agree well with the observed values.

올리고펩티드 사슬이합체의 헬릭스-코일 전이 이론

김영구,박형석,Kim, Younggu,Pak, Hyungsuk 대한화학회 1995 대한화학회지 Vol.39 No.10

.alpha. 트로포마이신솨 파라마이신등은 .alpha. 나선-사슬이합체를 이룰수 있다. 사슬이합체의 나선에서 코일로의 전이 현상을 적절이 설명할수 있는 이론을 얻을 수 있었다. 이전의 이론은 Zimm-Bragg 매개변수를 사용하는 행렬식으로 올리고펩티드 사슬 이합체의 전이를 설명하였지만 이 이론으로는 올리고펩티드에서 무시할 수 없는 dangling H-bond를 고려할 수 없었다. 본 이론에서는 dangling H-bond까지 고려할수 있는 zipper 모형을 사용하였다. 나선도를 단일 사슬에서 사용되는 나선 개시상수(.sigma.), 나선 안정화(.zeta.)와 소수성상호 인력 매개변수(.omega.) 등의 함수로서 계산할 수 있었다. .alpha. 트로포마이신에서 나선 안정화의 경향을 계산 하였다. 이 올리고펩티드의 온도, 올리고펩티드의 온도, 올리고펩티드농도 변화에 의한 전이는 사슬의 해리와 동시에 일어난다. S-S 결합 등으로 이어진 사슬이 합체나 긴 사슬을 가지는 폴리펩티드는 항상 나선구조로 존재하여 전이가 일어나기 힘들다. 올리고펩티드의 농도에 의한 전이는 사슬의 길이 또는 온도계에 의한 전이보다 급격함을 알 수 있었다. A theory of the helix/coil transition for $\alpha$ helical dimer such as $\alpha$ tropomycin and paramycin is developed. The treatment differs from those formulated previously for oligopeptide dimer which is explained by the matrix method using Zimm-Bragg parameter: In the present treatement, it is explained by the zipper model which can account for the dangling H-bond. We calculate the fractional helicity in $\alpha$ helical dimer as a function of helix initiation $constant(\sigma)$, helix stability constant(${\xi}$) and hydrophobic interaction parameter(w). For $\alpha$ tropomycin, the helix stability profile is also calculated. The transitions of this oligomer due to the change of temperature and the concentration of oligopeptide involve simultaneous dissociation of the dimer. The transitions of dimers which have cross-linked S-S bonds or have long chains don't occur, because they keep always helical structures. The transitons due to the concentration of the oligopeptides are steeper than those due to the chain length or temperature.

Chain Ordering Effects in the Nematic-Isotropic Phase Transition of Polymer Melts

Han Soo Kim,Hyungsuk Pak,Song Hi Lee Korean Chemical Society 1991 Bulletin of the Korean Chemical Society Vol.12 No.2

A statistical thermodynamic theory of thermotropic main-chain polymeric liquid crystalline melts is developed within the framework of the lattice model by a generalization of the well-known procedure of Flory and DiMarzio. According to the results of Vasilenko et al., the theory of orientational ordering in melts of polymers containing rigid and flexible segments in the main chain is taken into account. When the ordering of flexible segments in the nematic melt is correlated with that of rigid mesogenic groups, the former is assumed to be given as a function of the ordering of rigid mesogenic cores. A free energy density that includes short-range packing contributions is formulated. The properties of the liquid-crystalline transiton are investigated for various cases of the system. The results calculated in this paper show not only the order-parameter values but also the first-order phase transition phenomena that are similar to those observed experimentally for the thermotropic liquid-crystalline polymers and show the transitional entropy terms which actually increase upon orientational ordering. In the orientational ordering values, it is shown that mesogenic groups, flexible segments, and gauche energy (temperature) may be quite substantial. Finally, by using the flexibility term, we predict the highly anisotropic mesophase which was shown by Vasilenko et al.

이성분 용액에서의 고체 표면에 대한 흡착

장세헌,박형석,박상윤,Seihun Chang,Hyungsuk Pak,Sangyoun Park 대한화학회 1973 대한화학회지 Vol.17 No.2

고체-액체 경계 면에서의 흡착은 흡착 층을 단일 분자층으로 생각하고 흡착체에 평행한 방향에 대해서는 이차원 액체로 수직한 방향에 대해서는 조화 단진동을 하는 것으로 보고 여기에 천이상태이론을 적용하여 흡착 층에서의 용액의 상태 합을 구성하고, 시클로헥산-벤젠 이성분 용액의 실리카-겔에 대한 흡착에 적용하여, 흡착량과 흡착 층에서의 몰 엔트로피 및 흡착열의 값을 계산하여 얻었다. In treating solid-liquid interfaces, it is assumed that the adsorbed layer consists of monolayer and the molecules of the adsorbed layer behave as two dimensional liquid and oscillate harmonically in the vertical direction to the adsorbent. Applying the transition state theory of significant liquid structure to the adsorbed molecules, the adsorption isotherm, entropy and heat of adsorption for cyclohexane-benzene solutions adsorbed on silica-gel G are calculated. The calculated values are in good agreements with those of the observed ones.

Topological Approach to the Rubber Elasticity of Polymer Networks

손정모,박형숙,Son Jung Mo,Pak Hyungsuk Korean Chemical Society 1989 Bulletin of the Korean Chemical Society Vol.10 No.1

Applying the topological theory of rubber elasticity which was suggested by K. Iwata to the newly devised body-centered cubic lattice model, the authors calculated the values of four terms of the free energy to form polymer networks. Finding the projection matrix of the BCL model, and comparing this with the values of the simple cubic lattice (abbreviated to SCL hereafter) model of K. Iwata, the authors obtained the stress versus strain curves and found that the curves are in good agreement with the experimental results of poly(dimethyl siloxane) networks.

Stepwise Adsorption in Gas-Solid Adsorption System and Phase Transition in Adsorbed Phase

Lee Song Hee,Lee Jo Woong,Pak Hyungsuk,Chang Seihun Korean Chemical Society 1982 Bulletin of the Korean Chemical Society Vol.3 No.2

In this work we have studied the multilayer stepwise adsorption of gases on solid adsorbents based on the previously developed theory. It is shown that stepwise adsorption isotherms emerge from our theory if an ad hoc adsorption regarding the degree of occupation for each successive layer is abolished and the effect of lateral intermolecular interactions among adsorbate molecules is included. In addition to these the effect of vertical interactions has also been taken into consideration. It seems that the vertical interaction plays a role in deciding the shape and the position of steps in resulting isotherms. It is evident from this research that it is the lateral interaction that is responsible for stepwise adsorption as long as the adsorbent surface is uniform and temperature is sufficiently low.

벤젠과 그 유도체들의 흑연표면 위의 흡착메카니즘

김윤수(Yunsoo Kim),안영수(Young Soo Ahn),박형석(Hyungsuk Pak),장세헌(Seihun Chang) 대한화학회 1974 대한화학회지 Vol.18 No.2