• Korean Journal of Mineralogy and Petrology
• /
• v.36 no.4
• /
• pp.355-363
• /
• 2023

In this study, we explore the nature of clumped isotopes of H₂O molecule using quantum chemical calculations. Particularly, we estimated the relative clumping strength between diverse isotopologues, consisting of oxygen (¹⁶O, ¹⁷O, and ¹⁸O) and hydrogen (hydrogen, deuterium, and tritium) isotopes and quantify the effect of temperature on the extent of isotope clumping. The optimized equilibrium bond lengths and the bond angles of the molecules are 0.9631-0.9633 Å and 104.59-104.62°, respectively, and show a negligible variation among the isotopologues. The calculated frequencies of the modes of H₂O molecules decrease as isotope mass number increases, and show a more prominent change with varying hydrogen isotopes over those with oxygen isotopes. The equilibrium constants of isotope substitution reactions involving these isotopologues reveal a greater effect of hydrogen mass number than oxygen mass number. The calculated equilibrium constants of clumping reaction for four heavy isotopologues showed a strong correlation; particularly, the relative clumping strength of three isotopologues was 1.86 times (HT¹⁸O), 1.16 times (HT¹⁷O), and 0.703 times (HD¹⁷O) relative to HD¹⁸O, respectively. The relative clumping strength decreases with increasing temperature, and therefore, has potential for a novel paleo-temperature proxy. The current calculation results highlight the first theoretical study to establish the nature of clumped isotope fractions in H₂O including ¹⁷O and tritium. The current results help to account for diverse geochemical processes in earth's surface environments. Future efforts include the calculations of isotope fractionations among various phases of H₂O isotopologues with a full consideration of the effect of anharmonicity in molecular vibration.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
• /
• 2002.09a
• /
• pp.335-338
• /
• 2002

방사성폐기물처분연구의 일환으로 화강암지역내 심부지하수에 대한 지화학특성조사가 수행되었다. 지하수 시료는 다중패커시스템이 설치된 심부시추공으로부터 심도별로 채취되었으며, 계속적인 지화학 및 동위원소에 대한 모니터링이 진행되고 있다. 심부지하수는 pH가 약10.0이며 Na-HCO$_3$형으로 지화학적으로 특징되며, 지표로 250m이하의 심도에서는 거의 동일한 지화학적 특성을 보인다. 동위원소결과는 심부지하수는 천수기원임을 보이며, 천부지하수에 비해 약500~1,000m 높은 고도에서 함양되었음을 보여준다. 250m이하의 심부지하수는 50년이상의 체류시간을 갖음을 나타낸다.

• Economic and Environmental Geology
• /
• v.55 no.3
• /
• pp.261-271
• /
• 2022

Six gas samples were collected from coal and coaly shale from core AA-1, which was acquired from the Asem-Asem Basin, southeast Kalimantan, Indonesia. These coalbed gas samples were analyzed for the molecular composition, carbon isotope (δ¹³C_CH4, δ¹³C_C2, and δ¹³C_CO2), hydrogen isotope (δD_CH4), hydrocarbon index (C_HC), and carbon dioxide-methane index (CDMI) to document their origin and methanogenic pathways. Core AA-1 successively consists of lower clastic sedimentary rocks (Sedimentary Unit-1, SU-1) containing coal and coaly shale, and upper limestone (Sedimentary Unit-2, SU-2), unconformably underlain by serpentinized basement interpreted as part of the Cretaceous Meratus subduction complex (MSC). The coal and coaly shale (SU-1) were deposited in a marshes nearby a small-scale river. Compositions of coalbed gases show that methane ranges from 87.35 to 95.29% and ethane ranges from 3.65 to 9.97%. Carbon isotope of coalbed methane (δ¹³C_CH4) ranges from -60.3 to -58.8‰, while hydrogen isotope (δD_CH4) ranges from -252.9 to -252.1‰. Carbon isotope of coalbed ethane (δ¹³C_C2) ranges from -32.8 to -31.2‰, carbon isotope of coalbed carbon dioxide (δ¹³C_CO2) ranges from -8.6 to -6.2‰. The coalbed CO₂ is interpreted to be an abiogenic origin based on a combination of δ¹³C_CO2 and CDMI and could have been transported from underlying CO₂ bearing MSC through faults. The methanogenic pathways of coalbed gases are interpreted to have originated from primary methyl-type fermentation and mixed with CO₂ reduction, affecting thermogenic non-marine coal-type gases based on analyses of isotopic ratios and various indexes.

• Economic and Environmental Geology
• /
• v.34 no.1
• /
• pp.71-88
• /
• 2001

The Geochemica] and isotope studies on the $CO_2$-rich water from the Shinchon area were carried out. The Shinchon $CO_2$-rich water belongs to Ca(Na)-$HCO_3$ type showing very high $P_{CO_{2}}$ ( $10^{-0.35}$ ~ $10^{0.29}$ atm) and TDS (835-3,144 mg/L). The results of geochemical and isotope analysis indicate that $CO_2$ gas is originated from the deep seated source such as mantle or magmatic gases. The $CO_2$-rich water was evolved by interaction with deep-seated granite and major water-rock interaction was dissolution of p]agioclase resulting high Na content of $CO_2$-rich water. Precipitation and dissolution of secondary calcite might be accompanied with the dissolution of plagioclase maintaining Na/Ca ratio. High contents of K and $SO_4$ indicate that the geochemical characteristics of $CO_2$-rich water were partially affected by interaction with upper sedimentary rock during uprising to surface. N03 and tritium contents suggest that the $CO_2$-rich water was mixed with low $CO_2$ groundwater at some locations. The oxygen-hydrogen isotopes show that all water samples were derived from meteoric waters and the $CO_2$-rich water was isotopically re-equilibrated with lighter $CO_2$ gas. Although some carbon isotope data show isotopically heavy values, carbon isotope data indicate that the $CO_2$ gas was possib]y derived by deep source.

• Radioisotope journal
• /
• v.15 no.3
• /
• pp.78-92
• /
• 2000

낮은 선량의 방사선피폭으로 인한 건강 위해의 여부에 대하여 과학적 현황을 고찰하였다. 선량과 영향 사이에 문턱 없는 선형비례 모델(LN-T모델)에 대해 역학적, 수학적, 방사선생물학적 측면의 긍정적 논리와 호메시스, 적응반응, 통계적 관점의 비판적 논거를 대비하여 평가하였다. 방사선 피폭이력자에게 발현한 확률적 영향 특히 백혈병을 포함한 암에 대해 그 질환의 방사선 인과성 판단에 대한 애로와 접근 방향을 논의하였다. 객관적인 평가 지표의 하나로 기인확률(PC)을 적용하되 근로자에 대한 제도적 배려 등 고려할 사항을 논의하였다.

• Economic and Environmental Geology
• /
• v.41 no.1
• /
• pp.15-32
• /
• 2008

The hydrochemical and isotopic (stable isotopes and noble gas isotopes) analyses for hot spring waters, cold groundwaters and surface water samples from the Seokmodo hot spring area of the Ganghwa province were carried out to characterize the hydrogeochemical characteristics of thermal waters and to interpret the source of thermal water and noble gases and the geochemical evolution of hot spring waters in the Seokmodo geothermal system. The hot spring waters and groundwaters show a weakly acidic condition with the pH values ranging from 6.42 to 6.77 and 6.01 to 7.71 respectively. The outflow temperature of the Seokmodo hot spring waters ranges from $43.3^{\circ}C\;to\;68.6^{\circ}C$. Relatively high values of the electrical conductivities which fall between 60,200 and $84,300{\mu}S/cm$ indicate that the hot spring waters were mixed with seawater in the subsurface geothermal system. The chemical compositions of the Seokmodo hot spring waters are characterized by Na-Ca-Cl water type. On the other hand, cold groundwaters and surface waters can be grouped into three types such as the Na(Ca)-$HCO_3$, Na(Ca)-$SO_4$ and Ca-$HCO_3$ types. The ${\delta}^{18}O\;and\;{\delta}D$ values of hot spring waters vary from -4.41 to -4.47%o and -32.0 to -33.5%o, respectively. Cold groundwaters range from -7.07 to -8.55%o in ${\delta}^{18}O$ and from -50.24 to -59.6%o in ${\delta}D$. The oxygen and hydrogen isotopic data indicate that the hot spring waters were originated from the local meteoric water source. The enrichments of heavy isotopes ($^{18}O\;and\;^2H$) in the Seokmodo hot spring waters imply that the thermal water was derived from the diffusion Bone between fresh and salt waters. The ${\delta}^{34}S$ values ranging from 23.1 to 23.5%o of dissolved sulfate are very close to the value of sea water sulfate of ${\delta}^{34}$S=20.2%o in this area, indicating the origin of sulfate in hot springs from sea water. The $^3H/^4He$ ratio of hot spring waters varies from $1.243{\times}10^{-6}\;to\;1.299{\times}10^{-6}cm^3STP/g$, which suggests that He gas in hot spring waters was partly originated from a mantle source. Argon isotopic ratio $(^{40}Ar/^{36}Ar=298{\times}10^{-6}cm^3STP/g)$ in hot spring waters corresponds to the atmospheric value.

• The Journal of Engineering Geology
• /
• v.13 no.1
• /
• pp.83-105
• /
• 2003

Geochemical studies on the alluvial aquifer system near the Nakdong River were carried out for the basic investigation of the estimation of artificial recharge for the river bank filtration. In-situ data do not show any distinct difference between the pumping well and river. Most of waters belong to $_3$ and Ca-$SO_4$ types and show high Mn concentration. In the borehole installed with Multi-Ca-HCOPacker (MP) system, Na, Ca, Mg, $HCO_3$ contents of the groundwater are increased with depth increasing. Cl and $SO_4$ contents of the groundwater show the lowest values at the bottom level (18m depth) and Mn content is very high at the middle level (13.5 m depth) of MP system. There is no distinct difference in the ${\delta}^{18}O$ and D values and tritium content between MP, borehole and surface water samples. The sulfur isotope data indicate that the possible sulfur source is dissolution of sulfate mineral from sedimentary rock. Strontium isotope ratio shows a little differences between the pumping well and observation borehole samples. Nitrogen isotope data indicate that the nitrogen of water samples is originated from fertilizer or organic materials.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
• /
• 2005.04a
• /
• pp.336-339
• /
• 2005

포천지역의 포천천과 그 주변의 8개 소유역을 대상으로 2003년 8월부터 2004년 8월까지 하천 8개 지점과 기존 지하수 관정 66개소를 선정하여 수리지구화학 및 환경동위원소 연구를 실시하였다. 복합적인 토지이용과 관련하여 연구지역 수계에서는 오염물질 유입이 광역적으로 인지되었으며, 일부 지역에서는 지하수계로의 오염물질 유입이 강하게 나타나 인근 하천까지 영향을 줌이 확인되었다. 오염기원으로 해석되는 대표적인 무기이온종인 $NO_3,\;Cl,\;SO_4$의 존재비를 이용하여 연구 지역의 지표수와 충적 지하수를 크게 3개 수질 그룹으로 분류하였다. 이들 그룹들은 각각 특징적인 충진 특성과 용존 이온의 분포/거동 양상을 나타내는 것으로 해석된다. 본 논문에서는 세 유형의 지표수/충적 지하수 외에 암반 지하수를 포함하여 연구지역 자연수의 수리지구화학 진화 경로와 오염물질의 유입 및 거동 양상에 대하여 토의한다.

• Journal of the Mineralogical Society of Korea
• /
• v.27 no.4
• /
• pp.263-270
• /
• 2014

This paper was researched that provenance of the raw material for bronze relics excavated Cheonghaejin using the distribution of lead isotope ratio based on galena ores of South Korea. Also we want to make sure that the trace elements appearing as a by-product can be used as a secondary indicator for provenance research. In the case of the galena map of the East-North Asia (Mabuchi, 1985), data are plotted in China area. Therefore it is estimated that most bronzes were produced with lead ore from China. On the other hand, the same data are plotted in the Okcheon Metamorphic Belt and Yeongnam Massif of the galena map of South Korea (KOPLID, 2012). Also the contents of Ag and Sb are available as indicator due to separate ores from similar zone in lead isotope ratio.

• Journal of Wetlands Research
• /
• v.13 no.3
• /
• pp.515-522
• /
• 2011

This study examined the epiphytes using stable isotopes. Separated epiphytes should represent the water quality. In study areas, where agricultural paddies were prevailing, biomass of epiphytes can increase nitrogen isotopes(${\delta}^{15}N$) and as a result decrease in carbon isotopes(${\delta}^{13}C$). Naerin stream and Inbuk upper areas showed higher nitrogen isotopes(${\delta}^{15}N$) than in Hangye and Buk stream. Also, stable carbon isotopes(${\delta}^{13}C$) in Naerin stream and Inbuk streams tended to increase than in Hangye and Buk stream. This can indicate the epiphytes can be a good indicator for water quality pollution.