• 한국응용과학기술학회지
• /
• 제31권3호
• /
• pp.517-524
• /
• 2014

Two key technologies of horizontal drilling and hydraulic fracturing are recognized to achieve the rapid growth of shale gas production, in specific, in the United States during last decade. The claims between environmentalists and oil companies have been debating in terms of water contamination. Nowadays, voluntary publication of chemicals from shale gas players are available in the website, FracFocus. This paper introduces chemicals that are currently used in hydraulic fracturing process. Among chemicals, guar gum and guar derivatives are dominantly consumed to increase the viscosity of hydrofracking fluids. The role of additional additives, such as breakers and biocides, is presented by explaining how they cut down the molecular structure of guar gum and guar derivatives. In addition, crosslinking agent, pH controller, friction reducer, and water soluble polymers are also presented.

• Bulletin of the Korean Chemical Society
• /
• 제7권1호
• /
• pp.53-55
• /
• 1986

The $trans{\rightarrow}cis$ photoisomerization and fluorescence of trans-1,2-bispyrazylethylene were investigated in various conditions. The quantum yields of the $trans{\rightarrow}cis$ photoisomerization and the fluorescence intensity of trans-1,2-bispyrazylethylene decrease on going from neutral to acidic or basic solutions. The quantum yields of photoisomerization, however, are little affected by changing the concentration of salt while the fluorescence intensity increases as the concentration of salt increases. pH and salt effects on the energy levels of $^1(n,\;{\pi}^*)\;and\;^1({\pi},\; {\pi}^*)$ states lead to opposing changes in photoisomerization and fluorescence quantum yields. The heavy atom effect on the fluorescence of 1,2-bispyrazylethylene was also investigated.

• Bulletin of the Korean Chemical Society
• /
• 제7권1호
• /
• pp.6-12
• /
• 1986

Overlap integrals for the case in which the ground and excited states are represented by Morse potential functions were derived. In order to calculate the spectral intensities in Morse wavefunctions, a method of expanding the wavefunctions of one state in terms of the other was developed to allow the ground and the excited state frequencies to be different. From the expansion of Morse wavefunctions, recursion formulas were developed for variational matrix elements of Morse wavefunctions. The matrix elements can be calculated using these recursion formulas and the diagonalized results which eigenvalues (allowed energies) were all successfully satisfied to Morse energy formulas.

• Bulletin of the Korean Chemical Society
• /
• 제4권1호
• /
• pp.45-47
• /
• 1983

In order to standardize the ${\sigma}^*,\;{\rho}^*$ is taken as unity for the benzoic acids by analogy with the fact that ${\rho}$ of benzoic acids in the ground state is taken as unity. The $pK_{\alpha}^*$ of many benzoic acid derivatives are determined by UV spectroscopy and fluorescence spectral analysis whenever possible. The ${\sigma}^*$ constants are derived from the Hammett equation utilizing these $pK_{\alpha}^*$ values and the $pK_{\alpha}^*$ of the benozic acid derivatives showed better correlationship with ${\sigma}^*$ than ${\sigma},\;{\sigma}^+\;and\;{\sigma}^-$ as expected. From these ${\sigma}^*$ values, ${\rho}^*$ of the phenol derivatives was calculated to be 1.28. The new standardized ${\sigma}^*$ values are calculated from the $pK_{\alpha}^*$ values of phenols since more accurate and abundant data are available for phenols than the benzoic acid derivatives.

• Bulletin of the Korean Chemical Society
• /
• 제21권1호
• /
• pp.81-86
• /
• 2000

In order to obtain detailed information on ground and excited states of curcumin and curcuminoids, as well as to understand the photobiological characteristics of them, their spectral and photophysical behaviors are investigated in various conditions. Various curcuminoids were obtained and their structures were determined by spectroscopic methods. In n-hexane, the absorption and fluorescence spectra of these compounds contain some structure, which disappear in more polar solvent such as methanol. The fluorescence intensities of curcumin and dimethylated curcumin decrease as the concentration of water increases. The intensities also decrease as the solvent varies from neutral to extremely acidic (lower than pH 1.5) or to basic (higher than pH 8.0) condition. These results indicate that the spectral and photophysical properties of both of curcumin and curcuminoids are strongly influenced by solvent, water, and pH.

• Bulletin of the Korean Chemical Society
• /
• 제1권3호
• /
• pp.113-114
• /
• 1980

Lumichrome (7,8-dimethylalloxazine) exhibits two fluorescence emission maxima at 440 and 540 nm in pyridine-dioxane. These emission band maxima are attributable to radiative decays from the excited states of lumichrome and its flavin tautomer, 7,8-dimethylisoalloxazine, respectively. The growth of the latter can be followed upon excitation of the former with a 2-nanosecond light pulse generated from the nitrogen plasma discharge lamp. The excited state tautomerism results from proton transfer from N-1 to N-10 position during the lifetime of the lumichrome singlet excited state. The rate depends on the concentration of general base, pyridine, and it is an order of magnitude slower than diffusion-controlled processes.

• Bulletin of the Korean Chemical Society
• /
• 제20권6호
• /
• pp.720-726
• /
• 1999

It has been proved by the semi-classical gauge invariant formulation (GIF) that the correct interaction operator for coupling the field-free material states with the radiation field must be the position form regardless of the gauge chosen for expressing the electromagnetic potentials, in accordance with the well-established principle of gauge invariance. The semi-classical GIF is now extended to the quantized radiation field interacting with matter by defining the energy operator for the quantized radiation field in the presence of matter. It will be shown in this paper that the use of the energy operator guarantees the position form of the interaction operator even in the Coulomb gauge, contrary to the conventional approach in which the dark material Hamiltonian is used to get the interaction operator of the momentum form. The multipolar Hamiltonian is examined in the context of the quantum mechanical gauge transformation.

• Bulletin of the Korean Chemical Society
• /
• 제20권7호
• /
• pp.809-814
• /
• 1999

Computations are reported for the very floppy cumulenones H2CnO (n = 3-7). The structures, harmonic frequencies and dipole moments are computed using the DFT and MP2 methods. H2C6O and H2C7O are treated for the first time. The carbon skeletons in ground states of these molecules with smaller number of carbon atoms are found to be bent, but very floppy. Those of the cumulenones with higher number of carbon atoms are predicted to be nearly linear. All the molecules are predicted to be of Cs symmetry by the present results. Good agreement with the available experimental observations is obtained.

• Bulletin of the Korean Chemical Society
• /
• 제16권11호
• /
• pp.1015-1019
• /
• 1995

The electronic structures and properties of the neutral and multiply charged C60n ions (n=2+ to 6-) with spin states have been investigated by semi-empirical MNDO calculations. In the ground state, C601- has the lowest total energy and the highest binding energy. The neutral C60 ion is supposed to have a high ionization potential and a high electron affinity. The HOMO and LUMO positions are lower in the cationic C60 than in the anionic C60. The LUMO energy becomes increasingly positive from C601- to C606- and the HOMO energy becomes increasingly negative from C602+ to C60. The HOMO-LUMO gap of the neutral C60 ion is higher than that of the multiply charged C60 ions. From the HOMO-LUMO gap, it seems reasonable to expect that electrons of the multiply charged C60 ions will be more polarizable than those of the neutral C60 ion. The HOMO and LUMO energies increase as the negative charge increases.

• Bulletin of the Korean Chemical Society
• /
• 제16권11호
• /
• pp.1019-1023
• /
• 1995

A light-emitting silicon material was prepared by electrochemical etching of n-Si single crystal wafers in a solution of hydrofluoric acid and ethanol. Visible photoluminescence from the silicon was inhomogeneous and decayed rapidly in the ambient laboratory conditions or with photoirradiation. Substantial improvements in photoluminescence which include little-dependent luminescence peak energy with excitation energy variation and longer-lasting room temperature visible photoluminescence were achieved when the surface of photoluminescent silicon material was derivatized with the surface modifier of octadecylmercaptan. Surface modification of the photoluminescent silicon was evidenced by the measurements of contact angles of static water drops, FT-IR spectra and XPS data, in addition to changed photoluminescence. Similar improvements in photoluminescence were observed with the light-emitting silicon treated with dodecylmercaptan, but not with octadecane. The present results indicate that sulfurs of octadecylmercaptans or dodecylmercaptans appear to coordinate the surface Si atoms of LESi and perturb the surface states to significantly change the luminescent characteristics of LESi.