• Bulletin of the Korean Chemical Society
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• v.26 no.9
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• pp.1369-1380
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• 2005

The reaction of methyl radical with iodine molecule on an attractive potential energy surface is studied by classical trajectory procedures. The reaction occurs over a wide range of impact parameters with the majority of reactive events occurring in the backward rebound region on a subpicosecond scale. A small fraction of reactive events take place in the forward hemisphere on a longer time scale. The ensemble average of reaction times is 0.36 ps. The occurrence of reactive events is strongly favored when the incident radical and the target molecule align in the neighborhood of collinear geometry. Since the rotational velocity of I2 is slow, the preferential occurrence of reactive events at the collinear configuration of $CH_3{\ldots}I{\ldots}$I leads to the reaction exhibiting an anisotropic dependence on the orientation of $I_2$. During the collision, there is a rapid flow of energy from the $H_3C{\ldots}$I interaction to the I-I bond. The $CH_3I$ translation and $H_3C$-I vibration share nearly all the energy released in the reaction, and the distribution of the vibrational energy is statistical. The reaction probability is $\cong$0.4 at the $CH_3$ and I2 temperatures maintained at 1000 K and 300 K, respectively. The probability is weakly dependent on the $CH_3\;and\;I_2$ temperatures between 300 K and 1500 K.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.13 no.3
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• pp.235-242
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• 2015

A commercially available copper mesh was investigated as an iodine off-gas capturing medium for pyroprocessing, with an aim to replace costly silver based adsorbents. Theoretical calculation results suggested that the reaction between metallic copper and gaseous iodine will occur spontaneously to produce copper iodide in the temperature range of 100 ~ 500℃. The effect of the reaction temperature on iodine capturing efficiency was investigated by experimentation, and it was found that 5 and 6 wt% of iodine (initial mass 2.0 g) was captured by a single copper mesh (0.26 g) at 300 and 400℃, respectively. The repeated experimental results also suggested that copper utilization can be increased with the help of the spontaneous detachment of the reaction product (CuI) from a copper mesh. The formation of the CuI phase was confirmed using the X-ray diffraction technique, and the surface morphology of the reaction product was observed using scanning electron microscopy.

• Transactions of the Korean hydrogen and new energy society
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• v.19 no.6
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• pp.490-497
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• 2008

For continuous operation of the sulfur-iodine(SI) thermochemical cycle, which is expected practical method for massive hydrogen production, suggesting operation conditions at steady state is very important. Especially, in the Bunsen reaction section, the Bunsen reaction as well as side reactions is occurring simultaneously. Therefore, we studied on the relation between the variation of compositions in product solution and side reactions. The experiments for Bunsen reaction were carried out in the temperature range, from 268 to 353 K, and in the $I_2/H_2O$ molar ratio of $0.094{\sim}0.297$ under a continuous flow of $SO_2$ gas. As the result, sulfur formed predominantly with increasing temperature and decreasing $I_2/H_2O$ molar ratios. The molar ratios of $H_2O/H_2SO_4$ and $HI/H_2SO_4$ in global system were decreased as the more side reaction occurred. A side reactions did not appear at $I_2/H_2O$ molar ratios, saturated with $I_2$, irrespective of the temperature change. We concluded that it caused by the increasing stability of an $I_{2x}H^+$ complex and a steric hindrance with increasing $I_2/HI$ molar ratios.

• Transactions of the Korean hydrogen and new energy society
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• v.17 no.4
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• pp.395-402
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• 2006

Iodine-sulfur(IS) hydrogenation production process consists of three sections, which are so called a Bunsen reaction section, a HI decomposition section and a $H_2SO_4$ decomposition section as a closed cycle. For highly efficient operation of a Bunsen reaction section, we investigated the phase separation characteristics of $H_2SO_4-HI-H_2O-I_2$ system into two liquid phases($H_2SO_4$-rich phase and $HI_x$-rich phase) in the high temperature ranges, mainly from 353 to 393 K, and in the $H_2SO_4/HI/H_2O/I_2$ molar ratio of $1/2/14{\sim}30/0.3{\sim}13.50$. The desired results for the minimization of impurities in each phase were obtained in conditions with the higher temperature and the higher $I_2$ molar composition. On the basis of the distribution of $H_2O$ to each phase, it is appeared that the affinity between $HI_x$ and $H_2O$ was more superior to that between $H_2SO_4$ and $H_2O$.

• Journal of the Korean Chemical Society
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• v.36 no.2
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• pp.174-179
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• 1992

Reaction of aniline and iodine in$CHCl_3,\;CH_2Cl_2 : CHCl_3$(1 : 1), and $CH_2Cl_2$ has been studied kinetically by using conductivity method, Pseudo first-order rate constants ($k_{obs}$) and second-order rate constants ($k_{obs}$/[aniline]) are dependent on the aniline concentration. Second-order rate constants obtained were increased with increasing aniline concentration. We analysed these results on the basis of formation of charge transfer complex as reaction intermediate. From the construction of react ion scheme and derivation of rate equation, we calculated equilibrium constants and activation parameters for the formation and transformation of charge transfer complex. The equilibrium constants were decreased by an increase in the dielectric constant of the solvent and the value is 1.7-3.7$M^{-1}$. The rate of transformation are markedly affected by the solvent polarity. ${\Delta}H^{\neq}$ is about 14.2kJ/mol, and ${\Delta}S^{\neq}$ is large negative value of -243J/mol K.

• Journal of the Korean Chemical Society
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• v.37 no.3
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• pp.287-293
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• 1993

Ultraviolet spectrophotometric investigation has been carried out on the system of charge-transfer(CT) complex with iodine and tetramethyltin in n-hexane and acetone. From these results, the transient CT absorption spectrum can be observed and the subsequent disappearance of CT absorption spectrum is accompained by the cleavage of tetramethyltin with iodine (iododestannylation). Therefore, the rate constants for the iododestannylation were determined at 10, 25 and 35$^{\circ}C$ up to 1600 bar and the rates of reaction were increased with increasing temperature and pressure. From these rate constants, the values of the activation parameters (${\Delta}V^{\neq}$, ${\Delta}{\beta}^{\neq}$, ${\Delta}H^{\neq}$ and ${\Delta}S^{\neq}$) were obtained and discussed in terms of solvent structure variation of transition state and mechanism from these values. It could postulated that the reaction is followed with S$_F$2 mechanism and weakened S$_F$2 mechanism nature by increasing pressure.

• Journal of the Korean Chemical Society
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• v.37 no.6
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• pp.555-561
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• 1993

Ultraviolet spectrophotometric investigation has been carried out on the system of iododestannylation iodine and tetramethyltin in methanol. The transient CT absorption spectrum can be observed and the subsequent disappearance of CT absorption spectrum was accompained by the cleavage of tetramethyltin with iodine. From there, the rate constants for the iododestannylation were determined at 10, 25 and 35$^{\circ}C$ up to 1600 bar and the reaction rates were increased with increasing temperature and pressure. From these rate constants, the values of the activation parameters (${\Delta}V^\neq,\;{\Delta}{\beta}^{\neq},\;{\Delta}H^{\neq},\;{\Delta}S^{\neq}\;and\;{\Delta}G^{\neq}$) were obtained. The activation volumes and activation compressibility coefficients were both negativity. The activation enthalpies were positive and activation entropies had large negative values. From these values discussed in terms of solvent structure variation of transition state and mechanism. From these results, it was found that the reaction is followed with $S_E2$ mechaenism and weakened $S_E2$ mechanism nature by increasing pressure.

• Transactions of the Korean hydrogen and new energy society
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• v.1 no.1
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• pp.40-47
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• 1989

The sulfur-iodine thermochemical water splitting process of GA(General atomic) cycle was studied to produce hydrogen from water by $H_2-I_2-SO_2$ reactions. The experimental scale was 500g based on iodine. The reaction took 100 minutes, products could be separated two liquid phases due to their density difference:HI solution had a density of 2.39~2.61g/cc, and $H_2SO_4$ solution had 1.37~1.38g/cc. The condition of reaction was when weight ratio of $I_2/H_2O$ was 2/1 resulting in good phase separation and productivity.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.102-107
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• 1990

The reaction of thiazoline-azetidinone (7) with $I_2$ in $CH_2Cl_2-H_2O$ gave directly 3-iodo-3-methylcepham (4). A phase transfer catalyst considerably increased the reaction rate. Similar to the hydrolysis of thiazoline-azetidinone (7) under a weak acidic condition, thiazole (10) was given as major product in the treatment with 0.1 eq. of iodine. The difference between cyclization reaction and hydrolysis could be explained in terms of solvents, the amount of iodine and the nature of thiazoline-azetidinones (7).

• Analytical Science and Technology
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• v.20 no.2
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• pp.155-163
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• 2007

Porosity paper evidence is encountered in case of forgery, kidnapping, fraud and terrorist activity. The present study was designed to evaluate the effect of three chemical reagents (Ninhydrin, 1,8-diazafluoren-9-one (DFO), Iodine fuming) to the quality of developed latent fingerprints on porosity printing papers and newspaper. In case of printing papers, print quality was better with Iodine fuming method than Ninhydrin and DFO treatment to developing latent fingerprints. Developing latent fingerprint on newspapers was achieved with Iodine fuming processing. The processing of Iodine fuming followed by DFO and by using blue light (orange red filter) exhibited better results with Iodine fuming. Enhancement of latent fingerprint detection image using Digital Imaging System was achieved.