• Title/Summary/Keyword: 양자화학

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The investigation of adsorption properties of filter media for removal efficiency of nitrogen, phosphorus using experimental and density functional theory (실험 및 밀도범함수이론을 이용한 질소, 인 저감 효과 분석을 위한 여재의 흡착 특성 연구)

  • Kim, Taeyoon;Kwon, Yongju;Kang, Choonghyun;Kim, Jongyoung;Shin, Hyun Suk;Kwon, Soonchul;Cha, Sung Min
    • Journal of Wetlands Research
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    • v.20 no.3
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    • pp.263-271
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    • 2018
  • In this study, we analyzed the removal efficiency of ammonia nitrogen and phosphate dependant on the column depths using various absorbents such as zeolite silica sand, and activated carbon through the column test. In addition, we analyzed electrochemical adsorption behaviors of ammonia nitrogen and phosphate through the quantum mechanical calculation based on density functional theory calculation. Experimental results represent the removal efficiency of ammonia nitrogen and phosphate are zeolite > activated carbon > silica sand, and activated carbon > zeolite > silica sand, respectively. Zeolite shows high adsorption property for ammonia nitrogen over 90%, regardless of the column depth, while activated carbon exhibits high adsorption property for both ammonia nitrogen and phosphate as the column depth for filter media increases. Theoretical findings using DFT calculation for the adsorption behaviors of adsorbents (activated carbon and silica sand) and nutrients ($PO_4{^{3-}}$, $NH_4{^{+}}$) show that activated carbon represented narrower HOMO-LUMO band gap with high adsorption energy, and even more favorable environment for electron adsorption than silica sand, which leads to the effective removal of nutrients.

Light Scattering-enhanced Upconversion Efficiency in Silica Microparticles-embedded Polymeric Thin Film (고분자 박막 내에 담지 된 실리카 마이크로입자의 광산란 효과에 의한 광에너지 상향전환 효율 향상)

  • Choe, Hyun-Seok;Lee, Hak-Lae;Lee, Myung-Soo;Park, Jeong-Min;Kim, Jae-Hyuk
    • Applied Chemistry for Engineering
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    • v.30 no.1
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    • pp.88-94
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    • 2019
  • Triplet-triplet annihilation upconversion (TTA-UC) is a photochemical process wherein two or more low-energy photons are converted to a high-energy photon through a special energy transfer mechanism. Herein, we report a strategy to enhance the efficiency of TTA-UC through the light-scattering effect induced by silica microparticles (SM) embedded in polymeric thin films. By incorporating monodisperse uniform silica microparticles with a uniform size of 950 nm synthesized by $St{\ddot{o}}ber$-based seeded growth method into UC polymeric thin films, the UC intensity in the 430-570 nm range was enhanced by as much as 64% when irradiated by 635 nm laser. Analyzing the lifetime of PdTPBP phosphorescence revealed that the presence of SM in the UC layer does not affect triplet-triplet energy transfer (TTET) between sensitizers and acceptors, supporting the enhancement of TTA-UC originated from the light-scattering effect. On the other hand, the incorporation of SM in UC layer is shown to enhance the triplet-triplet annihilation (TTA) efficiency, which results in a 1.5-fold increase of the ${\Phi}_{UC}$, by scattering light source and thus increasing the number of excited photons to be utilized in TTA-UC process.

Material Characteristics and Ultrasonic Velocity Diagnosis of the Five-storied Stone Pagoda in Tamni-ri, Uiseong (의성 탑리리 오층석탑의 재질특성과 초음파 물성진단)

  • Lee, Myeong Seong;Lee, Jae Man;Kim, Jae Hwan
    • Korean Journal of Heritage: History & Science
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    • v.45 no.1
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    • pp.70-85
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    • 2012
  • Uiseong Tamni-ri Five-storied Stone Pagoda is composed of andesitic tuff and partially combined with tuff breccia and fine-grained granite. The andesitic tuff is identical to basement rock of Geumseongsan Mountain based on lithological, mineralogical and geochemical characteristics. The pagoda has suffered physical weathering such as crack and scaling, discoloration and biological colonization with complex reaction. Expecially, dark gray and brown discoloration appeared whole over the surface of the pagoda, and three to five-layered exfoliation and granular disintegration dominantly occurred in the fourth and fifth roof stones. It is assuming that the stone elements of the pagoda are evaluated as third to forth grades (average third grade) of weathering compared to fresh rock in Geumseongsan Mountain. The physical strength of the stone elements shows low values in the south and west sides of the pagoda that corresponds high weathering degree of the west side due to exfoliation, crack and granular disintegration. It is necessary to investigate the pagoda for precise deterioration assessment, monitoring and conservation treatment.

Analysis on Composition and Strength of Lime-Soil Mixture Barrier Tombs at Guri Galmae Site in Joseon Dynasty (조선시대 구리 갈매유적 회곽묘의 조성 및 강도분석)

  • Lee, Chan Hee;Eo, Eon Il;Shin, Sook Chung
    • Korean Journal of Heritage: History & Science
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    • v.50 no.2
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    • pp.40-61
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    • 2017
  • This study investigated material characteristics of composition and variable strength measurement using physicochemical and petrographic analysis for lime-soil mixture barrier tombs of Guri Galmae site in Joseon Dynasty. The tomb barriers are composed mainly of microcrystalline calcite, quartz, feldspar and mica with lime matrix. The lime matrix shows compact sheet texture, and some samples show hydration aggregates with needle-shaped textures. Gypsum occurred as a secondary process where carbonization reactions were poor. Concentrations of CaO in the tomb barrier very widely ranged from 4.43 to 36.19 wt.%, specific gravity and absorption ratio of the materials show of 1.35 to 1.62 and 20.1 to 32.6%, respectively. As the rebound hardness, the materials ranged from 10.0 to 28.4 (mean 15.7). The values are higher in the $-90^{\circ}$ direction rather than in the $0^{\circ}$ direction with the consequence that the values indicate more strength toward the vertical direction. Difference in strength by directions was caused by the directions of the tomb barriers, which is related to the processes in each stage. In the tomb barriers, ultrasonic velocity and unconfined compressive strength ranged from 1,049.2 to 1,728.9m/s and under 5.00MPa, respectively. Variation patterns between the two are very similar in values. As the result of composition and strength, the materials of higher contents on CaO are higher in strength values. Generally, techniques and skills to make the lime-soil mixture barriers are interpreted as low qualities in relatively.

Adsorption Characteristics of Hydrogen in Regular Single-Walled Carbon Nanotube Arrays at Low Temperature (저온에서 규칙적인 단일벽 탄소나노튜브 배열의 수소 흡착 특성)

  • Yang Gon Seo
    • Clean Technology
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    • v.29 no.3
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    • pp.217-226
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    • 2023
  • The amount of hydrogen adsorbed in arrays of single walled carbon nanotubes (SWNTs) was studied as a function of nanotube diameter and distance between the nearest-neighbor nanotubes on square arrangements using a grand canonical Monte Carlo simulation. The influence of the geometry of a triangle array with the same diameters and distances was also studied. Hydrogen-carbon and hydrogen-hydrogen interactions were modeled with Lennard-Jones potentials for short range interactions and electrostatic interactions were added for hydrogen-hydrogen pairs to consider quantum contributions at low temperatures. At 194.5 K, Type I isotherms for large-diameter SWNTs and Type IV isotherms without hysteresis between adsorption and desorption processes for wider tube separations were observed. At 200 bars, the gravimetric hydrogen storage capacity of the SWNTs was reached or exceeded the US Department of Energy (DOE) target, but the volumetric capacity was about 70% of the DOE target. At 77 K, a two-step adsorption was observed, corresponding to a monolayer formation step followed by a condensation step. Hydrogen was adsorbed first to the inner surface of the nanotubes, then to the outer surface, intratubular space and the interstitial channels between the nanotube bundles. The simulation indicated that SWNTs of various diameters and distances in a wide range of configurations exceeded the DOE gravimetric and volumetric targets at under 1 bar.

Transition Metal Dichalcogenide Nanocatalyst for Solar-Driven Photoelectrochemical Water Splitting (전이금속 디칼코제나이드 나노촉매를 이용한 태양광 흡수 광화학적 물분해 연구)

  • Yoo, Jisun;Cha, Eunhee;Park, Jeunghee;Lim, Soo A
    • Journal of the Korean Electrochemical Society
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    • v.23 no.2
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    • pp.25-38
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    • 2020
  • Photoelectrochemical water splitting has been considered as the most promising technology for generating hydrogen energy. Transition metal dichalcogenide (TMD) compounds have currently attracted tremendous attention due to their outstanding ability towards the catalytic water-splitting hydrogen evolution reaction (HER). Herein, we report the synthesis method of various transition metal dichalcogenide including MoS2, MoSe2, WS2, and WSe2 nanosheets as excellent catalysts for solar-driven photoelectrochemical (PEC) hydrogen evolution. Photocathodes were fabricated by growing the nanosheets directly onto Si nanowire (NW) arrays, with a thickness of 20 nm. The metal ion layers were formed by soaking the metal chloride ethanol solution and subsequent sulfurization or selenization produced the transition metal chalcogenide. They all exhibit excellent PEC performance in 0.5 M H2SO4; the photocurrent reaches to 20 mA cm-2 (at 0 V vs. RHE) and the onset potential is 0.2 V under AM1.5 condition. The quantum efficiency of hydrogen generation is avg. 90%. The stability of MoS2 and MoSe2 is 90% for 3h, which is higher than that (80%) of WS2 and WSe2. Detailed structure analysis using X-ray photoelectron spectroscopy for before/after HER reveals that the Si-WS2 and Si-WSe2 experience more oxidation of Si NWs than Si-MoS2 and Si-MoSe2. This can be explained by the less protection of Si NW surface by their flake shape morphology. The high catalytic activity of TMDs should be the main cause of this enhanced PEC performance, promising efficient water-splitting Si-based PEC cells.

Studies on Grain Filling and Quality Changes of Hard and Soft Wheat Grown under the Different Environmental Conditions (환경 변동에 따른 경ㆍ연질 소맥의 등숙 및 품질의 변화에 관한 연구)

  • Young-Soo Han
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.17
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    • pp.1-44
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    • 1974
  • These studies were made at Suwon in 1972 and at Suwon, Iri, and Kwangju in 1973 to investigate grain filling process and variation of grain quality of NB 68513 and Caprock as hard red winter wheat, Suke #169 as soft red winter wheat variety and Yungkwang as semi-hard winter variety, grown under-three different fertilizer levels and seeding dates. Other experiments were conducted to find the effects of temperature, humidity and light intensity on the grain filling process and grain quality of Yungkwang and NB 68513 wheat varieties. These, experiments were conducted at Suwon in 1973 and 1974. 1. Grain filling process of wheat cultivars: 1) The frequency distribution of a grain weight shows that wider distribution of grain weight was associated with large grain groups rather than small grain group. In the large grain groups, the frequency was mostly concentrated near mean value, while the frequency was dispersed over the values in the small grain group. 2) The grain weight was more affected by the grain thickness and width than by grain length. 3) The grain weight during the ripening period was rapidly increased from 14 days after flowering to 35 days in Yungkwang and from 14 days after flowering to 28 days in NB 68513. The large grain group, Yungkwang was rather slowly increased and took a longer period in increase of endosperm ratio of grain than the small grain group, NB 68513. 4) In general, the 1, 000 grain weight was reduced under high temperature, low humidity, while it was increased under low temperature and high humidity condition, and under high temperature and humidity condition. The effect of shading on grain weight was greater in high temperature than in low temperature condition and no definite tendency was found in high humidity condition. 5) The effects of temperature, humidity and shading on 1, 000 grain weight were greater in large-grain group, Yungkwang than in small grain group, NB 68513. Highly significant positive correlation was found between 1, 000 grain weight and days to ripening. 6) The 1, 000 grain weight and test weight were increased more or less as the fertilizer levels applied were increased. However, the rate of increasing 1, 000 grain weight was low when fertilizer levels were increased from standard to double. The 1, 000 grain weight was high when planted early. Such tendency was greater in Suwon than in Kwangju or Iri area. 2. Milling quality: 7) The milling rate in a same group of varieties was higher under the condition of low temperature, high humidity and early maturing culture which were responsible for increasing 1, 000 grain weight. No definite relations were found along with locations. 8) In the varieties tested, the higher milling rate was found in large grain variety, Yungkwang, and the lowest milling rate was obtained from Suke # 169, the small grain variety. But the small grained hard wheat variety such as Caprock and NB 68513 showed higher milling rate compared with the soft wheat variety, Suke # 169. 9) There were no great differences of ash content due to location, fertilizer level and seeding date while remarkable differences due to variety were found. The ash content was high in the hard wheat varieties such as NB 68513, Caprock and low in soft wheat varieties such as Yungkwang and Suke # 169. 3. Protein content: 10) The protein content was increased under the condition of high temperature, low humidity and shading, which were responsible for reduction of 1, 000 grain weight. The varietal differences of protein content due to high temperature, low humidity and shading conditions were greater in Yungkwang than in NB 68513. 11) The high content of protein in grain within one to two weeks after flowering might be due to the high ratio of pericarp and embryo to endosperm. As grains ripen, the effects of embryo and pericarp on protein content were decreased, reducing protein content. However, the protein content was getting increased from three or four weeks after flowering, and maximized at seven weeks after flowering. The protein content of grain at three to four weeks after flowering increased as the increase of 1, 000 grain weight. But the protein content of matured grain appeared to be affected by daily temperature on calender rather than by duration of ripening period. 12) Highly significant positive correlation value was found between the grain protein content and flour protein content. 13) The protein content was increased under the high level of fertilizers and late seeding. The local differences of protein content were greater in Suwon than in Kwangju and Iri. 14) Protein content in the varieties tested were high in Yungkwang, NB 68513 and Caprock, and low in Suke # 169. However, variation in protein content due to the cultural methods was low in Suke # 169. 15) Protein yield per unit area was increased in accordance with increase of fertilizer levels and early maturing culture. However, nitrogen fertilizer was utilized rather effectively in early maturing culture and Yungkwang was the highest in protein yield per unit area. 4. Physio-chemical properties of wheat flour: 16) Sedimentation value was higher under the conditions of high temperature, low humidity and high levels of fertilizers than under the conditions of low temperature, high moisture and low levels of fertilizers. Such differences of sedimentation values were more apparent in NB 68513 and Caprock than Yungkwang and Suke # 169. The local difference of sedimentation value was greater in Suwon than in Kwangju and Iri. Even though the sedimentation value was highly correlated with protein content of grain, the high humidity was considered one of the factors affecting sedimentation value. 17) Changes of Pelshenke values due to the differences of cultural practices and locations were generally coincident with sedimentation values. 18) The mixing time required for mixogram was four to six minutes in NB 68513, five to seven minutes in Cap rock. The great variation of mixing time for Yungkwang and Suke # 169 due to location and planting conditions was found. The mixing height and area were high in hard wheat than in soft wheat. Variation of protein content due to cultural methods were inconsistent. However, the pattern of mixogram were very much same regardless the treatments applied. With this regard, it could be concluded that the mixogram is a kind of method expressing the specific character of the variety. 19) Even though the milling property of NB 68513 and Caprock was deteriorated under either high temperature and low humidity of high fertilizer levels and late seeding conditions, baking quality was better due to improved physio-chemical properties of flour. In contrast, early maturing culture deteriorated physio-chemical properties, milling property of grain and grain protein yield per unit area was increased. However, it might be concluded that the hard wheat production of NB 68513 and Caprock for baking purpose could be done better in Suwon than in Iri or Kwangju area. 5. Interrelationships between the physio-chemical characters of wheat flour: 20) Physio-chemical properties of flour didn't have direct relationship with milling rate and ash content. Low grain weight produced high protein content and better physio-chemical flour properties. 21) In hard wheat varieties like NB 68513 and Caprock, protein content was significantly correlated with sedimentation value, Pelshenke value and mixing height. However, gluten strength and baking quality were improved by the increased protein content. In Yungkwang and Suk # 169, protein content was correlated with sedimentation value, but no correlations were found with Pelshenke value and mixing height. Consequently, increase of protein content didn't improve the gluten strength in soft wheat. 22) The highly significant relationships between protein content and gluten strength and sedimentation . value, and between Pelshenke value, mixogram and gluten strength indicated that the determination of mixogram and Pelshenke value are useful for de terming soft and hard type of varieties. Determination of sedimentation value is considered useful method for quality evaluation of wheat grain under different cultural practices.

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Bioecological Studies in the Upwelling Area of Cheju Island. ( I ) - Upwelling Phenomenon and Chemical Properties of Seawater in the Southwestern Coastal Area of Cheju Island (제주도 주변 용승역의 생물생태학적 기초연구 ( I )- 제주도 남서부 연안해역의 해수화학적 특성과 용승현상)

  • KANG Tae-Youn;CHOI Young-Chan;Go You-Bong
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.29 no.5
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    • pp.603-613
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    • 1996
  • Hydrographic conditions (temperature, salinity, dissolved oxygen), nutrients, chlorophyll-a and suspended solid have been studied in the southwestern coastal area of Cheju Island from April 1993 to March 1994. Vertical profile of temperature, salinity and chemical properties (nutrients, chlorophyll-a) distribution in th southwestern sea of Cheju Island showed a upwelling feature. Although it was not clear in winter season, it seems to continued through out the year. In the surface water at the upwelling areas, the ranges of dissolved oxygen, nitrate, phosphate and silicate was $3.30\~8.43\;ml/l,\;0\~7.12{\mu}g/l,\;0.03\~1.75{\mu}g-at/l\;and\;2.75\~22.32\;{\mu}g-at/l$l, respectively. Nutrients was higher in the shore water than in the offshore water, because sufficient supply of nutrients from the bottom water by coastal upwelling. In November, especially high concentration silicate was observed at all the stations and depth in the study area. At all station of bottom water (down to the depth of 60 meter), concentration value of dissolved of gen was as high as 8 ml/l. Mean values of N/P was 8.0, lower than Redifield ratio of 16. The mean values of Si/P was observed to 46.3 in southwest of Cheju Island. Concentration of chlorophyll-a was in the range of $0.04\~2.36\;{\mu}g/l$. Concentration of chlorophyll-a in surface orator at all station was especially higher in spring than in other seasons. Mean concentration value of suspended solids was 3.14 mg/l $(0.75\~8.47\;mg/l)$. Ratio of the volatile suspended solids to the suspended solids was higher in the inshore water $(53\%)$ than in the offshore water $(46\%)$, and higher in the surface water than in the bottom water.

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The Outbreak of Red Tides in the Coastal Waters off Kohung, Chonnam, Korea: 1. Physical and Chemical Characteristics in 1997 (전남 고흥 해역의 유해성 적조의 발생연구: 1.물리${\cdot}$화학적인 특성)

  • Yang, Jae-Sam;Choi, Hyun-Yong;Jeong, Hae-Jin;Jeong, Ju-Young;Park, Jong-Kyu
    • The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
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    • v.5 no.1
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    • pp.16-26
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    • 2000
  • Physical characteristics and nutrient distributions in seawater were investigated to understand the mechanism of red tide outbreak in coastal waters off Kohung area. To identify any physical and chemical differences before, during and after the red tide outbreaks, 6 times of field observations have been carried out from May to October, 1997. We found that major environmental properties of the seawater in the study area were determined not by the local meteoric conditions or nearby-land influences, but by the intrusion of seawater from offshore. In particular, extreme environmental variations in seawater were found during the period of red tide outbreak from August to September. Before the red tide outbreak, high concentrations of DIN(Dissolved Inorganic Nitrogen)were found in seawater, but they decreased during the outbreak. Whereas no significant variations of DIP(Dissolved Inorganic Phosphate) were found. For the water mass in the semienclosed northern part of the study area, local nutrient sources originated from nearby-lands were estimated to cover 70% of total DIN input, but the rest part of the water mass in the study area, sporadic intrusion of offshore water mass could account for the major source of DIN supply. An offshore water mass influenced by Yangtze river effluent was suggested as one of the candidates with its high nitrate contents, high seawater temperature and low salinity. A red tide related phytoplankton, Gyrodinium impudicum, was found in seawater on the 21th day of August and, on the same day, a unique water mass with high temperature and extremely low salinity suddenly appeared in the study area. On the 22th day of September, after one and half month duration of red tide we found that red tide had disappeared simultaneously with the intrusion of new water mass with different characteristics.

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Studies on the Chemical Components of Citrus Junos Sieb and Physical and Chemical Properties of Citrus Jumes Sieb Orchard Soil (유자(柚子)의 화학적성분(化學的咸分)과 유자원토양(柚子園土壤)의 이화학적성질(理化學的性質)에 관(關)한 연구(硏究))

  • Chung, J.H.
    • Applied Biological Chemistry
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    • v.15 no.2
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    • pp.169-173
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    • 1972
  • In five varietes of Citrus junos sieb grown in different area in Korea, the general components, total acids and inorganic components were calculated and compared with one other. In the orchard soils, the physical and chemical properties were studied. The results are summarized as follow: 1. Generally, the rind was weighter than tile flesh compared with the other fruits and the proportion of the rind was 49%. 2. Total contents of organic acids in rind and flesh were 12.29me and 39.79me respectively. 3. The order of the contents of inorganic components in the flesh and rind was $CaO>K_2O>MgO>P_2O_5>SO_4$ 4. The contents of crude protein and crude fat were increased with those of MgO and $SO_4$ in fruits. 5. The quantity of protein in the soil seed to influence greatly in rind formation not only in citrus fruits but also Citrus junos sieb. 6. In growing Citrus junos sieb, C.L. seemed to he the most adequate soil. 7. The pH range of the soil was from 5.05 to 7.20 generally. 8. The contents of crude protein and crude fat in citrus fruits seemed to be increased with those of organic material and total-nitrogen in the soil.

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