• 한국환경농학회지
• /
• 제19권1호
• /
• pp.72-74
• /
• 2000

우리나라 강우의 산성도 중화에 미치는 $NH_4\;^+$ 및 $Ca^{2+}$ 영향을 평가하기 위하여 '98년 5월부터 10월까지 6개월 동안 수원, 안성 및 태안지역에 내린 강우의 주요 이온들의 함량을 조사한 결과, $[H^+]+[NH_4\;^+]+[Ca^{2+}]$의 역대수값으로 계산되는 이론적 산성도는 측정된 pH값에 비해 각각 7.9, 8.7 및 6.5배 높았다. 또한 빗물의 산성도 중화에는 $NH_4\;^+$가 $Ca^{2+}$ 보다 기여도가 컸으며, 지역별 $Ca^{2+}$의 영향은 수원지역이 안성 및 태안지역에 비해 크게 나타났다.

• 한국토양비료학회지
• /
• 제33권5호
• /
• pp.356-360
• /
• 2000

우리나라 강우의 pH 분포와 산성도 중화에 미치는 $NH_4{^+}$ 및 $Ca^{2+}$ 영향을 평가하기 위하여 1993, 1994, 1995, 1997 및 1998년 각각 5월부터 10월까지 6개월 동안 안성지역에 내린 강우의 주요 이온들의 함량을 조사한 결과, 강우의 산성도 분포는 pH 5.0~5.6의 범위가 가장 많았으며 pH 5.6 이상의 강우는 연차적으로 점차 감소하는 경향이었다. 빗물중 $SO_4{^2-}$와 $NO_3{^-}$의 당량비는 1994년 이후 점차 증가하여 빗물중에 함유된 음이온중 $SO_4{^2-}$가 차지하는 비중이 점차 높아졌다. $[H^+]+[NH_4{^+}]+[Ca^{2+}]$의 역대수 값으로 계산되는 이론적 산성도는 측정된 pH값에 비해 5.0~12.6배 높았고 대기중에 존재하는 알카리 물질들에 의한 빗물의 월별 중화력은 강우량이 많은 7월과 8월에 가장 적었다. 또한 빗물의 산성도 중화에는 $NH_4{^+}$가 $Ca^{2+}$ 보다 기여도가 컸으며, 두 이온에 의한 빗물의 중화는 점차 감소하는 경향을 나타냈다.

• Bulletin of the Korean Chemical Society
• /
• 제24권8호
• /
• pp.1141-1149
• /
• 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.

• 한국토양비료학회지
• /
• 제42권5호
• /
• pp.336-340
• /
• 2009

최근 급속한 산업화가 진행되고 있는 중국의 편서풍 영향 하에 위치한 우리나라의 경우에는 장거리 이동에 따른 강우의 산성도 변화 및 예상되는 피해에 대한 대책 마련을 위하여 강우의 화학성에 대한 지속적인 모니터링이 필요하다. 태안지역 강우의 화학적 특성을 알아보기 위하여 2007년 4월부터 10월까지 19점의 빗물을 채수하여 pH 및 화학적 성분조성을 조사하였다. 강우량을 고려한 가중평균(volume-weighted mean) 이온농도 변화와 알카리성 물질들에 의한 빗물의 산성도 중화를 평가한 결과는 다음과 같다. 조사기간 중 평균 pH값은 4.9를 보였다. 빗물의 EC는 조사기간 평균 $32.9{\mu}S\;cm^{-1}$을 나타냈으며, 월별로는 9월에 $9.7{\mu}S\;cm^{-1}$로 조사기간 중 가장 낮은 값을 보였으며, 강우량이 가장 적었던 4월에 $91.4{\mu}S\;cm^{-1}$의 높은 수치를 나타내어 강우량 분포에 따른 EC의 계절적 특성을 보였다. 빗물의 조성에서 양이온 구성은 $Na^+$> $NH_4{^+}$ > $Ca^{2+}$ > $H^+$ > $Mg^{2+}$ > $K^+$의 순이었으며, $Na^+$와 $NH_4{^+}$가 전체 양이온 함량의 70% 이상을 차지하였다. 음이온은 $SO_4{^{2-}}$ > $NO_3{^-}$ > $Cl^{-}$ 순으로 $SO_4{^{2-}}$가 약 56%를 차지하였다. Sulfate의 조사기간 중 평균 함량은 $152.1{\mu}eq\;L^{-1}$ 이었다. 총 sulfate 함량 중 비해염 sulfate $(nss-SO_4)^-$ 함량은 평균 90%로 빗물 중에 함유된 sulfate의 대부분이 인위적인 발생원에서 기인되었다. 또한, 강우 산성도의 중화 정도를 알아보기 위하여 평가한 fractional acidity (pAi) 및 theoretical acidity ($pH_{the}$.) pH를 비교한 결과 1:1 직선의 오른쪽으로 분포되어 있음에 따라 본 조사기간 강우의 산성도가 빗물에 포함된 각종 알카리 물질들에 의해 중화되었음을 보였다.

• 한국세라믹학회지
• /
• 제31권6호
• /
• pp.678-684
• /
• 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
• /
• 제61권1호
• /
• pp.97-108
• /
• 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
• /
• 제14권1호
• /
• pp.14-21
• /
• 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.

• 한국토양비료학회지
• /
• 제46권5호
• /
• pp.386-390
• /
• 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.

• 공업화학
• /
• 제7권2호
• /
• pp.321-325
• /
• 1996

$Cu^{n+}$ 교환된 Y형 제올라이트 상에서 진행되는 NO분해반응의 특성을 양자화학적 계산을 통해 해석하였다. 제올라이트내 양이온 자리를 나타내는 Cluster모델들에 대해 CNDO/2와 같은 이론적 계산을 수행하여 전체에너지, LUMO에너지 및 Wiberg결합차수값들을 얻었다. 각 모델들의 전체에너지와 결합차수값들을 통해 제올라이트 골격내 $Cu^{n+}$ 양이온 자리에서의 NO분해반응에 대한 반응기구를 고찰하였다. 제안된 분자모델들은 각기 다른 Si/Al비와 $Cu^+$ 및 $Cu^{2+}$ 교환된 양이온의 경우로 구분하여 고찰하였다. LUMO에너지의 계산을 통해 모델분자들의 L산성도를 해석하였다. NO분해반응의 메카니즘은 NO의 흡착, $N_2$ 및 $O_2$로의 분해, $N_2$ 및 $O_2$의 탈착의 단계가 연속적으로 진행될 가능성이 있었다. 양이온 자리에서 $Cu^{2+}$는 $Cu^+$ 보다 더 강한 L산성을 나타내었다.

• 한국환경보건학회지
• /
• 제42권3호
• /
• pp.160-168
• /
• 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.