• Korean Journal of Environmental Agriculture
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• v.19 no.1
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• pp.72-74
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• 2000

This study was carried out to assess the neutralization ability of $NH_4\;^+$ and $Ca^{2+}$ on acidity of rainwater in Korea. The rainwater was collected at Suwon, Ansung and Taean area for six months from May to October in 1998. Rainwater samples were analyzed chemical composition and calculated its theoretical pH. As the results, theoretical acidity which calculated by $-log([H^+]+[NH_4\;^+]+[Ca^{2+}])$ in Suwon, Ansung and Taean area were higher 7.9, 8.7, and 6.5 times than measured acidity, respectively. $NH_4\;^+$ more contributed on neutralization of rainwater acidity than $Ca^{2+}$. In case of $Ca^{2+}$ its effect on neutralization of rainwater acidity was higher in Suwon than Ansung and Taean area.

• Korean Journal of Soil Science and Fertilizer
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• v.33 no.5
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• pp.356-360
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• 2000

This study was carried out to assess the neutralization ability of $NH_4{^+}$ and $Ca^{2+}$ on the acidity of rainwater in Korea. The rainwater was collected in Ansung area for six months from May to October in 1993, 1994, 1995, 1997, and 1998, respectively. Rainwater were analyzed for chemical composition and their theoretical pH values were calculated. As for the results, the distribution rates of rain at the pH 5.0~5.6 range were high. The equivalent ratio of $SO_4{^2-}/NO_3{^-}$ was decreased since 1994. Theoretical acidity which was calculated by-$log([H^+]+[NH_4{^+}]+[Ca^{2+}])$ was 5.0~12.6 times higher than measured acidity in Ansung area each monitoring year. The monthly difference between measured pH and theoretical pH was lower in July and August than any other month. $NH_4{^+}$ contributed more to the neutralization of rainwater acidity than $Ca^{2+}$. And the neutralization ratio of rainwater acidity by these two ions decreased during the years from 91.8% in 1993 to 88.7% in 1998.

• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1141-1149
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• 2003

The structures and gas-phase ionization energies (ΔG°) of Meldrum's acid (I) and related cyclic (II-VI) and acyclic compounds (VII-IX) are investigated theoretically at the MP2/6-31+$G^*$, B3LYP/6-31+$G^*$, B3LYP/6- 311+$G^{**}$, B3LYP/6-311++G(3df,2p) and G3(+)(MP2) levels. Conformations of three neutral cyclic series vary gradually from boat (Meldrum's acid, I), to twisted chair (II) and to chair (III) as the methylene group is substituted for the ether oxygen successively. The preferred boat form of I can be ascribed to the two strong $n_O$ → σ* c-c antiperiplanar vicinal charge transfer interactions and electrostatic attraction between negatively charged C¹ and positively charged C⁴at the opposite end of the boat. All the deprotonated anionic forms have half-chair forms due to the two strong $n_C$ → π* c=0 vicinal charge transfer interactions. The dipole-dipole interaction theory cannot account for the higher acidity of Meldrum's acid (I) than dimedone (III). The origin of the anomalously high acidity of I is the strong increase in the vicinal charge transfer ($n_C$ → π* c=0) and 1,4-attrative electrostatic interactions (C¹↔C⁴) in the ionization (I → $I^-$ + $H^+$). In the acyclic series (VII-IX) the positively charged end atom, C⁴, is absent and the attractive electrostatic stabilization (C¹↔C⁴) is missing in the anionic form so that the acidities are much less than the corresponding cyclic series.

• Korean Journal of Soil Science and Fertilizer
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• v.42 no.5
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• pp.336-340
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• 2009

The issue of acid precipitation and related environmental problems in East Asia has been emerging. To evaluate the acidity and chemical characteristics of rainwater in Korea, its chemical properties during cultivation season from April to October were investigated at Taean in 2007. Also, to estimate the contribution of ions on its acidity, ion composition characteristics and neutralization effects by cation ions were determined. The ion balance between cations and anions values showed high correlation. The mean values of pH and EC were 4.9 and $32.9{\mu}S\;cm^{-1}$, respectively. The EC of rainwater showed seasonal characteristic, which was $91.4{\mu}S\;cm^{-1}$ with relatively low rainfall compared with other monitoring periods. $Na^+$ was the main cation followed by $NH_4{^+}$ > $Ca^{2+}$ > $H^{+}$ > $Mg^{2+}$ > $K^+$. Among these ions, $Na^{+}$ and $NH_4{^+}$ covered over 70% of total cations. In the case of anion, the order was $SO_4{^{2-}}$ > $NO_3{^-}$ > $Cl^{-}$. The mean value of sulfate, which is main anion component in the samples was $152.1{\mu}eq\;L^{-1}$. Also, 90% of soluble sulfate in rainwater was $nss-SO_4{^{2-}}$(non-sea salt sulfate). With fractional acidity and theoretical acidity of rainwater samples, $NH_4{^+}$ and $Ca^{2+}$ contributed greatly in neutralizing the rain acidity.

• Journal of the Korean Ceramic Society
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• v.31 no.6
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• pp.678-684
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• 1994

The surface of alumina is capable of acquiring a change when it is in an aqueous solution. This surface change will have a strong influence on the surrounding ions, particularly those of opposite change known as the counter ions. A site-binding model of the {{{{ gamma }}-alumina/KCl(aq) interface was used to calculated theoretical surface ionization constants and P.Z.C.(Point of zero change) of {{{{ gamma }}-alumina. This paper was carried out to investigate the effect of calcination temperature on the acidic and electrical properties of pure {{{{ gamma }}-alumina prepared by the precipitation method from the Al(NO3)3.9H2O and NH4OH. From the experimental data it was shown that {{{{ gamma }}-alumina have a mainly Br nsted acid site. However, the acidity of {{{{ gamma }}-alumina decreased with increasing calcination temperature at strength Ho +9.3. The surface charge density of {{{{ gamma }}-alumina was increased with electrolyte ionic strength and calcination temperature.

• Korean Chemical Engineering Research
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• v.61 no.1
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• pp.97-108
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• 2023

Two carbonaceous adsorbents CAT and CARBOPAL were tested for reducing the concentration of the three herbicides in water: 2,4-D (2,4-dichlorophenoxyacetic acid), TCP (2,4,6-trichlorophenol) and metolachlor. Textural and chemical characterization of the adsorbents include nitrogen isotherms, FTIR, titration and thermogravimetric analyses. Adsorption was studied in discontinuous adsorption experiments at different pH values. The experimental adsorption isotherms data were fitted to four theoretical models. Adsorbent characterization reveals that CAT has higher micropore area, lower pore diameter and lower acidity than CARBOPAL. The adsorption is a second-order process and the isotherms best fitted to Sips model. The efficiency of the process depends mainly on the charge of the adsorbate for TCP and 2,4-D, but it depends on the charge of the surface for metolachlor. Adsorption capacity is higher on CAT for 2,4-D and TCP (small molecules), and it is higher on CARBOPAL for metolachlor (large molecules). Theoretical calculations clearly support this assumption.

• Carbon letters
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• v.14 no.1
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• pp.14-21
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• 2013

Physically and chemically activated carbons (ACs) exhibited high adsorption capacities for organic and inorganic pollutants compared with other adsorbents due to their expanded surface areas and wide pore volume distribution. In this work, seven steam-ACs with different burn-off have been prepared from cotton stalks. The textural properties of these sorbents were determined using nitrogen adsorption at $-196^{\circ}C$. The chemistry of the surface of the present sorbents was characterized by determining the surface functional C-O groups using Fourier transform infrared spectroscopy, surface pH, $pH_{pzc}$, and Boehm's acid-base neutralization method. The textural properties and the morphology of the sorbent surface depend on the percentage of burn-off. The surface acidity and surface basicity are related to the burn-off percentage. A theoretical model was developed to find a mathematical expression that relates the % burn-off to ash content, surface area, and mean pore radius. Also, the chemistry of the carbon surface is related to the % burn-off. A mathematical expression was proposed where % burn-off was taken as an independent factor and the other variable as a dependent factor. This expression allows the choice of the value of % burn-off with required steam-AC properties.

• Korean Journal of Soil Science and Fertilizer
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• v.46 no.5
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• pp.386-390
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• 2013

Recently, special attention has been given to acid rain and its problem to environment such as acid precipitation and air pollution in East Asia. In the present study, rainwater samples were collected from Apr to Nov in 2012. The samples were chemically characterized for the assessment of emission sources. Suwon and Yeoju regions, typical agricultural areas in South Korea, were chosen for study sites. Ion composition and cation-affected neutralization were determined to evaluate the contribution of cations to the acidity of rainwater. Ion and electrical conductivity between the measured and the estimated showed high correlation. The cations observed in Suwon and Yeoju were $Na^+$ > $NH_4{^+}$ > $K^+$ > $Ca^{2+}$ > $Mg^{2+}$ > $H^+$ and $Na^+$ > $K^+$ > $NH_4{^+}$ > $Ca^{2+}$ > $Mg^{2+}=H^+$, respectively. The anions of all sites were $SO{_4}^{2-}$ > $NO_3{^-}$ > $Cl^-$. While the amounts of sulfate, one of the major dissolved components of rainwater, were 77.6 and 75.6 ueq $L^{-1}$ in Suwon and Yeoju, the ones of NSS-$SO{_4}^{2-}$ (Non-Sea Salt sulfate) were 83 and 82% in Suwon and Yeoju, respectively. The comparison of observed pH values ($pH_{obs}$) with the theoretical pH values ($pH_{the}$) showed that the neutralization of rain water considerably went along during the study periods. The highest amounts of rainfall throughout the year in Suwon and Yeoju were 572.3 and 484.6 mm in July, and its corresponding nitrogen loadings in Suwon and Yeoju were 5.28 and 3.50 kg $ha^{-1}$, respectively. The major ion contents for crop growth with $SO{_4}^{2-}$, $Ca^{2+}$, $K^+$ and $Mg^{2+}$ were 51.7, 5.2, 11.8 and 1.8 kg $ha^{-1}$ in Suwon and 34.2, 4.0, 4.2 and 1.1 kg $ha^{-1}$ in Yeoju.

• Applied Chemistry for Engineering
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• v.7 no.2
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• pp.321-325
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• 1996

Quantum chemical calculations are used to characterize the decomposition of nitrogenmonoxide over $Cu^{n+}$-Y zeolite. The method of theoretical calculations, such as CNDO/2, have been applied to cluster models representing cation sites in zeolite to obtain total energies, LUMO energies, and Wiberg bond orders. The calculated total energies and bond orders of cluster models showed the reaction mechanism of NO decomposition over $Cu^{n+}$ site in zeolite framework. The suggested cluster models of varying Si/Al ratios studied with exchange cations in the $Cu^+$ and in the $Cu^{2+}$ states. And the calculated LUMO energies can predict L acidifies of cluster models. The results from these experiments showed the possibility of the mechanism of NO decomposition, progressing adsorption of NO, conversion to $N_2$ and $O_2$, desorption of $N_2$ and $O_2$ in sequence. The L acidity of $Cu^{2+}$ ion in cation site is more strong than $Cu^+$.

• Journal of Environmental Health Sciences
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• v.42 no.3
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• pp.160-168
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• 2016

Objectives: Materials coming into contact with food may result in the migration of chemical substances into the food. To protect consumers from exposure, Regulation (EU) No. 10/2011 specifies the use of standard migration tests. Polyethylene terephthalate (PET), widely used for food packaging materials, has drawn the attention of researchers because unwanted migration of PET into food might occur when consumers reuse packaging material. The aim of this study was to predict and develop a migration model for two components, acetaldehyde and butyraldehyde in PET, into food simulants under conditions of changing pH and solvents, such as those observed in fermented foods like kimchi or sauerkraut. Methods: Using a migration model based on Fick's second law of diffusion in one dimension, the migration of acetaldehyde and butyraldehyde from PET into a simulant of fermented food at $20^{\circ}C$ over 10 days was evaluated. The simulant for fermented food was modelled as 10% ethanol for three days, followed by 3% acetic acid for seven days. Results: The migration of acetaldehyde into the 10% ethanol was 0.36 times that of a simulated fermented food system, while that of butyraldehyde was 1.34 times greater. These results may have been influenced by the chemical interactions among the migrants, polymers and simulants, as well as by the solubilities of the migrants in polymers and simulants. Conclusion: Because food simulants have a limited capacity to mimic real food systems under the current migration model, an appropriate simulant and migration test should be considered in the case of increasing acidity. Furthermore, since the accuracy of the worst-case estimation of migration predicted by the current model is severely limited under changing food conditions, food simulants and their interactions should be further investigated with respect to conservative migration modelling.