• Title/Summary/Keyword: G-L theory

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Accelerating Effect of Neutral Salts on Alkaline Hydrolysis of Poly(ethylene terephthalate) (I) - Cationic Effect - (중성염의 폴리에틸렌 텔레프탈레이트의 알칼리 가수분해 촉진효과에 관한 연구(I) - 양이온의 영향 -)

  • Do, Sung-Guk;Cho, Hwan
    • Textile Coloration and Finishing
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    • v.6 no.1
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    • pp.33-43
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    • 1994
  • In the present work, to clarify the mechanism of the neutral salt effect on the alkaline hydrolysis of PET, many salts with different cations like LiCl, NaCl, KCl, CsCl were added to the aqueous alkaline solutions. Then PET was hydrolyzed with aqueous solutions of many salts in alkali metal hydroxides under various conditions. Some conclusions obtained from the experimental results were summarized as follows. The reaction rate of the alkaline hydrolysis of PET was increased by the addition of neutral salts and In k was increased nearly linearly with the square root of ionic strength of reaction medium. This fact suggested that the ionic strength effect by Debye-Huckel and Bronsted theory was exerted on the reaction. The specific salt effect was also observed. The reaction rate was increased with the increase in the electrophilicity of cations of neutral salts, i. e., in the order of $Cs^+$/ < $K^+$/ $a^+$/ $i^$^+$. It was considered that the reaction rate was increased in the order of C $s^+$. < $K^+$. $a^+$. $i^+$. because the lowering effect of the cations on the negative charge of PET surface was increased with the electrophilicity of cations. It was thought that $E_{a}$ was increased because the cations of neutral salts decreased the negative charge of PET surface. It, however, was inferred from the increase in ${\Delta}$S* and the decrease in the ${\Delta}$G* that the cations of neutral salts associated with PET increased the collision frequency between carbonyl carbon and OH- ion and then accelerated the reaction rate.te.

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A study of fast Reliability evaluation for acyclic digraph using domination theory (Domination 이론을 이용한 acyclic digraph의 빠른 신뢰도 계산을 위한 연구)

  • 이광원
    • Journal of the Korean Society of Safety
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    • v.11 no.1
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    • pp.27-38
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    • 1996
  • The aim of this paper is to develop more fast algorithm for evaluation of the reliability of networks and system. It is illustrated with examples. This paper derived the algorithm to calculate the acyclic directed graph G(deals with the problem of the s-t graph). The language PASCAL was used to implement the algorithm. Three Examples are calculated and the calculation time is shorter than the time by program in $\ulcorner$21$\lrcorner.

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Removal of Red Tide Organisms -1. flocculation of Red Tide Organisms by Using IOSP- (적조생물의 구제 -1. IOSP에 의한 적조생물의 응집제거-)

  • KIM Sung-Jae;CHO Kyu-Dae
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.33 no.5
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    • pp.448-454
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    • 2000
  • This study was to examine the physicochemical characteristics of coagulation reaction between ignited oyster shell powder (IOSP) and red tide organisms (RTO), and its feasibility, in developing a technology for the removal of RTO bloom in coastal sea,IOSP was made from oyster shell and its physicochemical characteristics were examined for particle size distribution, surface characteristic by scanning electron microscope, zeta potential, and alkalinity and pH variations in sea water. Two kinds of RTO that were used in this study, Cylindrotheca closterium and Skeletonema costatum, were sampled in Masan bay and were cultured in laboratory. Coagulation experiments were conducted using various c(Incentrations of IOSP, RTO, and a jar tester. The supernatant and RTO culture solution were analyzed for pH, alkalinity, RTO cell number, IOSP showed positive zeta potentials of $11.1{\~}50.1\;mV\;at\;pH\;6.2{\~}12.7$, A positive zeta potential of IOSP slowly decreased with decreasing pNa 4,0 to 2,0. When pNa reached zero, the zeta potential approached zero, When a pMg value was decreased, the positive zeta potential of IOSP increased until pMg 3.0 and decreased below pMg 3.0. IOSP showed 4.8 mV of positive zeta potential while RTO showed -9.2 mV of negative zeta potential in sea water. A positive-negative EDL (electrical double-layer) interaction occurred between $Mg(OH)_2$ adsorption layer of IOSP and RTO in sea water so that EDL attractive force always worked between them. Hence, their coagulation reaction occurred at primary minimum on which an extreme attractive force acted because of charge neutralization by $Mg(OH)_2$ adsorption layer of IOSP. As a result, the coagulation reaction was rapidly processed and was irreversible according to DLVO (Deriaguin-Landau-Verwey-Overbeek) theory. Removal rates of RTO were exponentially increased with increasing both IOSP concentration and G-value. The removal rates were steeply increased until 50 mg/l of IOSP and reached $100{\%}\;at\;400\;mg/l$ of IOSP. Removal rates of RTO were $70.5,\;70.5,\;81.7,\;85.3{\%}$ for G-values of $1,\;6,\;29,\;139\;sec^(-1)$at IOSP 100 mg/l, respectively. This indicated that mixing (i.e., collision among particles) was very important for a coagulation reaction.

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PMO Theory of Orbital Interaction (Part 6). Sigma-Aromatic Orbital Interactions in Heteroatom Analogues of Trimethylene Diradical (궤도간 상호작용의 PMO 이론 (제6보). 트리메틸렌 디라디칼의 헤테로 원자 유사체내에서의 시그마 방향족성 궤도간 상호작용)

  • Lee Ik Choon;Kim Ho Soon;Choi Jae Ho
    • Journal of the Korean Chemical Society
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    • v.29 no.2
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    • pp.98-103
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    • 1985
  • Orbital interactions between two nonbonding orbitals have been investigated for heteroatom analogues of trimethylene diradical using MINDO/3 and STO-3G methods. The results showed that the conformers in which significant ${\sigma}$-aromatic stabilization is involved exhibited level order reversal to $n_-$ below $n_+$ as it was found for trimethylene diradical. Lone pair orbitals (LPO) were found to be stabilized by charge dispersion accompanying vicinal trans $n-{\sigma}^*$ interaction and hydrogen bonding. In systems with different heteroatoms, N and O, the contribution of the LPO of oxygen, $n_O$ was always greater in the lower level whereas that of nitrogen, nN, was greater in the higher level as can be expressed as : $n_{\pm}$(lower) = $n_O{\pm}{\lambda}_Nn_N.\;n_{\pm}(higher)\;=\;n_N{\pm}{\lambda}_On_O$. where ${\lambda}_i$< 1.0

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The Analytic Gradient with a Reduced Molecular Orbital Space for the Equation-of-Motion Coupled-Cluster Theory: Systematic Study of the Magnitudes and Trends in Simple Molecules

  • Baek, Gyeong Gi;Jeon, Sang Il
    • Bulletin of the Korean Chemical Society
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    • v.21 no.7
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    • pp.720-726
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    • 2000
  • The analytic gradient method for the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) energy has been extended to employ a reduced molecular orbital (MO) space. Not only the innermost core MOs but also some of the outermost virtua l MOs can be dropped in the reduced MO space, and a substantial amount of computation time can be reduced without deteriorating the results. In order to study the magnitudes and trends of the effects of the dropped MOs, the geometries and vibrational properties of the ground and excited states of BF, CO, CN, N2, AlCl, SiS, P2, BCl, AIF, CS, SiO, PN and GeSe are calculated with different sizes of molecular orbital space. The 6-31 G* and the aug-cc-pVTZ basis sets are employed for all molecules except GeSc for which the 6-311 G* and the TZV+f basis sets are used. It is shown that the magnitudes of the drop-MO effects are about $0.005\AA$ in bond lengths and about 1% on harmonic frequencies and IR intensities provided that the dropped MOs correspond to (1s), (1s,2s,2p), an (1s,2s,2p,3s,3p) atomic orbitals of the first, the second, and the third row atoms, respectively. The geometries and vibrational properties of the first and the second excited states of HCN and HNC are calculated by using a drastically reduced virtual MO space as well as with the well defined frozen core MO space. The results suggest the possibility of using a very smalI MO space for qualitative study of valence excited states.

Effect of Leaf Aqueous Extracts from Some Gymnosperm Plant on the Seed Germination, Seedling Growth and Transplant of Hibiscus syriacus Varieties (수종 나자식물의 잎 수용 추출액이 무궁화의 품종별 종자발아와 유식물 및 초기생장에 미치는 영향)

  • 배병호;김용옥
    • The Korean Journal of Ecology
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    • v.26 no.1
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    • pp.39-47
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    • 2003
  • The leaf aqueous extracts from five gymnosperms plant were investigated for allelopathy with five Hibiscus syriacus varieties. The leaf aqueous extract of Pinus rigida had the highest total phenolic compound of 2.21mg/L, whereas the soil under Pinus koraiensis canopy had the highest total phenolic compound of 1.38mg/L. Fourteen phenolic compounds were isolated from five gymnosperm plants by HPLC. Among them, phenolic compounds were the highest in P. rigida (320.56 g/mg) with the primary compound 5-sulfosalicylic acid (312.55 g/mg). The correlation between leaf total phenolic compound and pH was not significant, while the total phenolic compound of the leaf extract changed soil pH. The relative seed germination of H. syriacus varieties showed 25% was threshold concentration. The germination rates of varieties were similar to the control group or showed slight stimulation to treatment of P. koraiensis extract. H. syriacus Cambanha was similar to the control group or showed stimulation in all treated groups. H. syriacus Seohohyang showed stimulation in both root and shoot growth compared to the control group. In other varieties except Seohohyang, shoot growth was similar to the control group, while root growth was stimulated in all treated groups. The extracts of tested gymnosperms showed significantly more stimulation to transplanted Seohohyang seedlings, whereas others were similar to control or inhibited in the greenhouse. The dry weight of Seohohyang was greater in all treated groups than the control group, while other varieties were inhibited. All gymnosperm extracts stimulated the chlorophyll contents of Seohohyang and H. syriacus Koyoro but other varieties were not significantly affected. Accordingly, it is suggested that Seohohyang seems the most desirable when planted within these five gymnosperms.

Study on Estimation of the Appropriate Social Discount Rate for Evaluating Public Investment Project (공공투자사업 평가의 적정 사회적할인율 추정에 관한 연구)

  • Jang, Byeong-Cheol;Son, Ui-Yeong;O, Mi-Yeong
    • Journal of Korean Society of Transportation
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    • v.28 no.2
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    • pp.65-75
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    • 2010
  • When the cost-benefit analysis is applied for social discount rate(SDR), the choice of SDR to be used in analysis is critical. One of the important issues when public investment project evaluate what is the SDR theory, so there have studied about SDR and no exact answer it so far. In this study, there are three of SDR theories that be estimated social time preference rate, social investment returns and the weighted average method from 1990s, 2000 to 2003 and 2004 to 2008.. First, social time preference method computes consumer's interest rate and the model of Pearce and Ulph(1999). Second, social investment returns method computes private returns of capital. Third, the weighted average method computes the model of Squire, L., Herman G. van der Tak(1975) and private consumption expense and the private investment expense. SDR is estimated in the rage between 2.4% and 3.9% from 2004 to 2008. It is not appropriate that the interest rate was unstable. But it is consider for social equity from present to future generations. Considering this things, downward need to the value of current SDR 5.5%.

First Principles Calculations on Magnetism of CrPt3(001) Thin Films (CrPt3(001) 박막의 자성: 제일원리계산)

  • Jeong, Tae Sung;Jekal, Soyoung;Rhim, S.H.;Hong, S.C.
    • Journal of the Korean Magnetics Society
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    • v.27 no.2
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    • pp.41-48
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    • 2017
  • Recent study shows that ordered alloy of $L1_2$ $XPt_3$ (M = V, Cr, Mn, Co, and Fe) exhibits various magnetic phases such as ferromagnetic-to-antiferromagnetic transition at the $MnPt_3$ surface. Moreover, it has been argued that $CrPt_3$, in particular, possess large magnetocrystalline anisotropy and Kerr rotation with possible violation of Hund's rule. As such, we extend our work to thickness dependence of the magnetic structure of $CrPt_3$ thin film using density functional theory. Magnetic ground state of the bulk $CrPt_3$ turns out to be ferromagnetic (FM), where other magnetic phases such as A-type (A-AF), C-type (C-AF), and G-type antiferromagnetic (G-AF) state have higher total energies than FM by 0.517, 0.591, and 0.183 eV, respectively, and magnetic moments of Cr in bulk are respectively 2.807 (FM), 2.805 (A-AF), 2.794 (C-AF) and $2.869_{{\mu}_B}$ (G-AF). We extend our study to $CrPt_3$(001) thin films with CrPt-and Pt-termination. The thickness and surface-termination dependences of magnetism are investigated for 3-9 monolayers (ML), where different magnetic phases from bulk emerge: C-AF for CrPt-terminated 3 ML and G-AF for Pt-terminated 5 ML have energy difference relative to FM by 8 and 54 meV, respectively. Furthermore, thickness- and surface-termination-dependent magnetocrystalline anisotropies of the $CrPt_3$(001) films are discussed.

Monitoring of Seawater Intrusion in Unconfined Physical Aquifer Model using Time Domain Reflectometry (자유면 대수층 모형에서의 TIME DOMAIN REFLECTOMETRY를 이용한 해수침투 모니터링)

  • 김동주;하헌철;온한상
    • The Journal of Engineering Geology
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    • v.13 no.1
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    • pp.17-27
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    • 2003
  • In this study, a phenomenon of saltwater intrusion was monitored under various conditions regarding recharge and pumping rate using time domain reflectometry for a laboratory scale unconfined aquifer to verify the basic theory behind seawater intrusion and to investigate movement of salt-freshwater interface in accordance with the ratio of pumping and recharge rate. Results showed that a thick mixing zone was formed at the boundary instead of a sharp salt-freshwater interface that was assumed by Ghyben and Herzberg who derived an equation relating the water table depth $(H_f)$ to the depth to the interface $(H_s)$. Therefore our experimental results did not agree with the calculated values obtained from the Ghyben and Herzberg equation. Position of interface which was adopted as 0.5 g/L isochlor moved rapidly as the Pumping rate $(Q_p)$ increased for a given recharge rate $(Q_r)$. In addition, interface movement was found to be about 7 times the ratio of $Q_p/Q_r$ in our experimental condition. This indicates that Pumping rate becomes an important factor controlling the seawater intrusion in coastal aquifer.

A Remote Laboratory for Basic Electric Circuits Using Remotely Controlling Passive Devices (원격 제어용 수동소자를 이용한 회로이론 원격 실험실)

  • Lee, Yoo-Sang;Jeon, Jae-Wuk;Moon, Il-Hyeon;Yang, Won-Seok;Lim, Jong-Sik;Ahn, Dal;Choi, Kwan-Sun
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.8 no.2
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    • pp.324-332
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    • 2007
  • In this paper, we developed remote control devices that can be controlled passive component e.g. resistor, inductor, capacitor that is a basic element in the electric circuit. We embodied a remote laboratory for basic circuit theory which learners can experiment controlling element value to remote through the internet. It was seen that is useful applying passive component developing to a remote laboratory. Because developed passive components can response in an experiment altering several element values to remote, they will be used very usefully in a remote experiment that equip various experiment theme. Therefor the proposed laboratory will be solved problems of virtual laboratory which students do not handle instruments in engineering experiment. With our proposed system, students can experiment any time, anywhere.

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