• Title/Summary/Keyword: 계산 화학

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Mineralogy and Geochemistry of Ultramafic Rocks from the Singok Area, Western Part of Chungnam (충남 서부 신곡 지역에 분포하는 초염기성암의 광물조성 및 지구화학)

  • 송석환;송윤섭
    • Economic and Environmental Geology
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    • v.34 no.4
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    • pp.395-415
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    • 2001
  • In the Singok area, western part of Chungcheongnam-Do, two ultramafic ma~ses, Singok mass and Kaewol mass, occur as isolated lenticular bodies in the Precambrian Kyeonggi gneiss complex. The masses extend for several hundred meter to NNE direction, parallel to the main fault line of this area. The rocks are dunite and harzburgite, but partially and absolutely serpentinized. They dominantly show porphyroclastic and recrystallized textures with equigranular-mosaic and protogranular textures. In spite of differences among the alteration and metamorphism, the ultramafic masses are characterized by varying amounts of high fosteritic olivine ($Fo_{0.88-0.93}$), magnesian pyroxene ($En_{0.93-0.97}$), and tremolitic to tschermakitic hornblende with minor spinel, serpentine, chlorite, calcite, magnetite, phlogopite and talc. It is compared with adjacent gneiss complex containing amphibole, biotite, plagioclase, alkali-feldspar and quartz. Geochemically, these rocks show high magnesium number (Mg>90.38), and transitional element (Ni=595-2480, Cr==IOlO-4400, Co=36-120 ppm), low alkali element ($Na_{2}O$<0.3, $K_{2}O$<0.11, $Al_{2}O_3$<2.95 wt%) and depleted incompatible element contents, which is compared with adjacent rocks (Mg < 83.69, $Na_{2}O$=1.02-3.42 wt%, $K_{2}O$=O.67-5.65 wt%, $Al_{2}O_3$=9.15-16.86 wt%, Ni < 435 ppm, Cr < 1440 ppm, Co<59 ppm, enriched incompatible element contents). Overall characteristics of ultramafic rocks from the Singok and Kaewol masses are similar to the those of adjacent ultramafic bodies in Chungnam with worldwide orogenic related Alpine type ultramalic rocks. Calculated geothermometries suggest that the ultramafic rocks have experienced metamorphism in the condition ranging from the greenschist facies to granulite facies.

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Occurrence Characteristics and Existing Forms of U-Th Containing Minerals in KAERI Underground Research Tunnel(KURT) Granite (한국원자력연구원 지하처분연구시설(KURT) 화강암의 U-Th 함유광물 산출특성 및 존재형태)

  • Cho, Wan Hyoung;Baik, Min Hoon;Park, Tae-Jin
    • Economic and Environmental Geology
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    • v.50 no.2
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    • pp.117-128
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    • 2017
  • Occurrence characteristics and existing forms of U-Th containing minerals in KURT (KAERI Underground Research Tunnel) granite are investigated to understand long-term behavior of radionuclides in granite considered as a candidate rock for the geological disposal of high-level radioactive waste. KURT granite primarily consists of quartz, feldspar and mica. zircon, REE(Rare Earth Element)-containing monazite and bastnaesite are also identified. Besides, secondary minerals such as sericite, microcline and chlorite including quartz vein and calcite vein are observed. These minerals are presumed to be accompanied by a post-hydrothermal process. U-Th containing minerals are mainly observed at the boundaries of quartz, feldspar and mica, mostly less than $30{\mu}m$ in size. Quantitative analysis results using EPMA (Electron Probe Micro-Analyzer) show that 74.2 ~ 96.5% of the U-Th containing minerals consist of $UO_2$ (3.39 ~ 33.19 wt.%), $ThO_2$ (41.61 ~ 50.24 wt.%) and $SiO_2$ (15.43 ~ 18.60 wt.%). Chemical structure of the minerals calculated using EPMA quantitative analysis shows that the U-Th minerals are silicate minerals determined as thorite and uranothorite. The U-Th containing silicate minerals are formed by a magmatic and hydrothermal process. Therefore, KURT granite formed by a magmatic differentiation is accompanied by an alteration and replacement owing to a hydrothermal process. U-Th containing silicate minerals in KURT granite are estimated to be recrystallized by geochemical factors and parameters such as temperature, pressure and pH owing to the hydrothermal process. By repeated dissolution/precipitation during the recrystallization process, U-Th containing silicate minerals such as thorite and uranothorite are formed according to the variation in the concentrated amount of U and Th.

Miscibility and Specific Intermolecular Interaction Strength of PBI/PI Blends Depending on Polyimide Structure(II) - Blend Systems with PIs Synthesized by DSDA - (폴리이미드 구조변화에 의한 방향족 PBI/PI 블렌드의 상용성 및 상호작용의 세기(II) - DSDA로 합성한 PI들과의 블랜드들 -)

  • Ahn, Tae-Kwang
    • Applied Chemistry for Engineering
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    • v.9 no.2
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    • pp.207-213
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    • 1998
  • On the basis of the previous study[1], miscibility were investigated and intermolecular interaction strength for the miscibility were relatively compared for the blends poly{2,2-(m-phenylene)-5,5'-bibenzimidazole}(PBI) with two aromatic polyimides (PIs) synthesized by another dianhydride. Aromatic PAAs were prepared by the reaction of condensation of two diamines, 4,4'-methylene dianiline(4,4'-MDA) and 4,4'-oxydianiline(4,4'-ODA) with 3,3',4,4'-diphenylsulfone tetracarboxylic dianhydride(DSDA) using DMAc, and then converted into PIs after curing. PBI/PAA blends were prepared by solution blending. Cast films or precipitated powders of the PBI/PAA blends were cared at a high temperature to transform into PBI/PIs blends. Miscibility and specific intermolecular interaction for miscibility in the blends were investigated, and compared with previous polyimide structures of PBI/PIs blends [1]. Two blends, PBI/DSDA+4,4'-MDA(Blend-V) and PBI/DSDA+4,4'-ODA(Blend-VI), were found miscible : the evidences were optically clear films, synergistic single composition dependent $T_g{\prime}s$, and frequency shifts of N-H stretching band as much as $39{\sim}40cm^{-1}$, and of C=O stretching band near 1730 and $1780cm^{-1}$, 5~6 and $3{\sim}4cm^{-1}$, respectively. The specific intermolecular interactions existing between PBI and PIs were relatively analyzed with the area(A) formed between the $T_g{\prime}s$ of the measured and that of the calculated by the Fox equation at all compositions, the ${\kappa}$ values in Gordon-Taylor equation obtained from the measured $T_g{\prime}s$, and differences of the frequency shifts in the functional N-H and carbonyl stretching band. From the results, the area(A) and the ${\kappa}$ values for Blend-V and VI were smaller than those for Blend-III and IV used in previous study[1]. Differences of the frequency shifts in the functional groups(N-H and C=O) also showed similar tendency. Thus, specific intermolecular interaction strength in terms of hydrogen bonding of PBI/PI blends is dependent upon chemical structures of PIs, that is, PIs it seems that $SO_2$ group in dianhydride(DSDA) has weaker hydrogen bond strength than those of C=O in BTDA. In other words, it implies that the former occupied bulk space than the latter due to the sterric effect.

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Adsorption of Anionic Species on Clay Minerals (점토광물에 의한 음이온 화학종 흡착 특성)

  • Moon, Jeong-Ho;Choi, Choong-Ho;Ryu, Byong-Ro;Kim, Cheol-Gyu
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.10
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    • pp.1058-1064
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    • 2005
  • This research was designed to investigate the removal of anionic species, such as $F^-$, $Cl^-$ and ${NO_3}^-$, by adsorption on the clay minerals. Bentonite, $Ca^{2+}$ or $Na^+$ ion exchanged bentonite and montmorillonite, such as KSF and K10 from Sigma Aldrich, were used as the adsorbent. The component of five inorganic adsorbent was analyzed by XRF and XRD and the concentration of anion was measured by ion chromatography. From the experimental results, it was shown that the adsorption equilibrium was attained after 8-24 hours. For the amount of 6 g of each adsorbent, the adsorption capacities of $F^-$ and ${NO_3}^-$ on KSF was the largest as $825\;{\mu}g/g$ and $707\;{\mu}g/g$ respectively and that of $F^-$ on $Ca^{2+}$ ion exchanged bentonite was $255\;{\mu}g/g$ and that of ${NO_3}^-$ on K10 was $103\;{\mu}g/g$. In general, the efficiency of removal for the anionic species was increased with increasing of the amount of the adsorbent. Especially, for the amount of 6 g of KSF, the efficiency of removal for $F^-$ and ${NO_3}^-$ was 99% and 95% respectively. But, for all adsorbents, the efficiency of removal for $Cl^-$ was less than 9%. Also, a Freundlich equation was used to fit the acquired experimental data. As the result, for the $F^-$ and ${NO_3}^-$ on KSF, Freundlich constants, K, was respectively 1.09 and $0.45\;[mg/g][L/mg]^{1/n}$ and the adsorption intensity(1/n) was determined to be 0.08 and 0.27 respectively.

Performance Evaluation of K-based Solid Sorbents Depending on the Internal Structure of the Carbonator in the Bench-scale CO2 Capture Process (벤치급 CO2 포집공정에서 흡수반응기의 내부구조에 따른 K-계열 고체흡수제의 성능평가)

  • Kim, Jae-Young;Lim, Ho;Woo, Je Min;Jo, Sung-Ho;Moon, Jong-Ho;Lee, Seung-Yong;Lee, Hyojin;Yi, Chang-Keun;Lee, Jong-Seop;Min, Byoung-Moo;Park, Young Cheol
    • Korean Chemical Engineering Research
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    • v.55 no.3
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    • pp.419-425
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    • 2017
  • In this study, the performance characteristics of the K-based sorbents (KEP-CO2P2, KEPCO RI, Korea) has been studied in relation with the heat exchanger structure and shape in a mixing zone of the carbonator in the bench-scale dry $CO_2$ capture process. Two types of heat exchangers (different structure and shape) were used in the carbonator as CASE 1 and CASE 2, in which the experiment has been continuously performed under the same operating conditions. During the continuous operation, working temperature of carbonator was 75 to $80^{\circ}C$, that of regenerator was 190 to $200^{\circ}C$, and $CO_2$ inlet concentration of the feed gas was 12 to 14 vol%. Especially, to compare the dynamic sorption capacity of sorbents, the differential pressure of the mixing zone in the carbonator was maintained around 400 to 500 mm $H_2O$. Also, solid samples from the carbonator and the regenerator were collected and weight variation of those samples was evaluated by TGA. The $CO_2$ removal efficiency and the dynamic sorption capacity were 64.3% and 2.40 wt%, respectively for CASE 1 while they were 81.0% and 4.66 wt%, respectively for CASE 2. Also, the dynamic sorption capacity of the sorbent in CASE 1 and CASE 2 was 2.51 wt% and 4.89 wt%, respectively, based on the weight loss of the TGA measurement results. Therefore, It was concluded that there could be a difference in the performance characteristics of the same sorbents according to the structure and type of heat exchanger inserted in the carbonator under the same operating conditions.

Effect of Composition of γ-Al2O3/SiO2 Mixed Support on Fischer-Tropsch Synthesis with Iron Catalyst (철 기반 촉매의 Fischer-Tropsch 합성에서 γ-Al2O3/SiO2 혼합 지지체 조성의 영향)

  • Min, Seon Ki;No, Seong-Rae;You, Seong-sik
    • Korean Chemical Engineering Research
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    • v.55 no.3
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    • pp.436-442
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    • 2017
  • Fischer-Tropsch synthesis is the technology of converting a syngas (CO+$H_2$) derived from such as coal, natural gas and biomass into a hydrocarbon using a catalyst. The catalyst used in the Fischer-Tropsch synthesis consists of active metal, promoter and support. The types of these components and composition affect the reaction activity and product selectivity. In this study, we manufactured an iron catalyst using ${\gamma}-Al_2O_3/SiO_2$ mixed support (100/0 wt%, 75/25 wt%, 50/50 wt%, 25/75 wt%, 0/100 wt%) by an impregnation method to investigate how the composition of ${\gamma}-Al_2O_3/SiO_2$ mixed support effects on the reaction activity and product selectivity. The physical properties of catalyst were analyzed by $N_2$ physical adsorption and X-Ray diffraction method. The Fischer-Tropsch synthesis was conducted at $300^{\circ}C$, 20bar in a fixed bed reactor for 60h. According to the results of the $N_2$ physical adsorption analysis, the BET surface area decreases as the composition of ${\gamma}-Al_2O_3$ decreases, and the pore volume and pore average diameter increase as the composition of ${\gamma}-Al_2O_3$ decreases except for the composition of ${\gamma}-Al_2O_3/SiO_2$ of 50/50 wt%. By the results of the X-Ray diffraction analysis, the particle size of ${\alpha}-Fe_2O_3$ decreases as the composition of ${\gamma}-Al_2O_3$ decreases. As a result of the Fischer-Tropsch synthesis, the CO conversion decreases as the composition of ${\gamma}-Al_2O_3$ decreases, and the selectivity of C1-C4 decreases until the composition of ${\gamma}-Al_2O_3$ was 25 wt%. In contrast, the selectivity of C5+ increases until the composition of ${\gamma}-Al_2O_3$ is 25 wt%.

Determination of Electron Spin Relaxation Time of the Gadolinium-Chealted MRI Contrast Agents by Using an X-band EPR Technique (EPR을 통한 상자성 자기공명 조영제의 전자스핀 이완시간의 결정)

  • Sung-wook Hong;Yongmin Chang;Moon-jung Hwang;Il-su Rhee;Duk-Sik Kang
    • Investigative Magnetic Resonance Imaging
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    • v.4 no.1
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    • pp.27-33
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    • 2000
  • Purpose: To determine the electronic spin relaxation times, $T_{le}$, of three commercially available Gd-chelated MR contrast agents, Gd-DTPA, Gd-DTPA-BMA and Gd-DOTA, using Electron Paramagnetic Resonance(EPR) technique. Material and Methods: The paramagnetic MR contrast agents, Gd-DTFA(Magnevist) , Gd-DTFA-BMA(OMNISCAN) and Gd-DOTA(Dotarem), were used for this study, The EPR spectra of these contrast agents, which were prepared 2:1 methanol/water solution, were obtained at low temperatures, from $-160^{\circ}C~20^{\circ}C$. The glassy-state EPR spectra for these contrast agents were then fitted by the simulation spectra generated with different zero-field splitting (ZFS) parameters by a computer simulation program 'GEN', which generates the EPR powder spectrum using a given ZFS in $3{\times}3$ tensor. Finally, the spin relaxation times of the contrast agents were then determined from the $T_{2e}$, D, and E values of the best simulation spectra using the McLachlan's theory of average relaxation rate. Results: The electronic transverse spin relaxation times, $T_{2e}'s$, of Gd-DTPA, Gd-DTPA-BMA and Gd-DOTA were 0.113ns, 0.147ns and 1.81ns respectively. The g-values were 1.9737, 1.9735 and 1.9830 and the electronic spin relaxation times, $T_{1e}'s$, were 18.70ns, 33.40ns and $1.66{\mu}s$, respectively. Conclusion: The results of these studies reconfirm that the paramagnetic MR contrast agents with larger ZFS parameters should have shorter $T_{1e}'s$. Among three contrast agents used for this study, Gd-DOTA chelated with cyclic ligand structure shows better electronic property then the others with linear structure. Thus, it is concluded that the exact determination of ZFS parameters is the important factor in evaluating relaxation enhancement effect of the agents and in developing new contrast agents.

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Geochemistry of Heavy Metals and Rare Earth Elements in Core Sediments from the Korea Deep-Sea Environmental Study (KODES)-96 Area, Northeast Equatorial Pacific (한국심해환경연구(KODES) 지역 주상 퇴적물중 금속 및 희토류원소의 지구화학적 특성)

  • Jung, Hoi-Soo;Park, Sung-Hyun;Kim, Dong-Seon;Choi, Man-Sik;Lee, Kyeong-Young
    • The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
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    • v.2 no.2
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    • pp.125-137
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    • 1997
  • To study the vertical variation of heavy metal and Rare Earth Element (REE) contents in deep-sea sediments, eighteen cores were sampled from the Korea Deep-sea Environmental Study (KODES)-96 area in the C-C zone (Clarion-Clipperton fracture zone), northeast equatorial Pacific. Sediment columns can be divided into three units based on sediment colors and geochemical characters; uppermost Unit I with brown color, middle Unit II with pale brown color and smaller Ni/Cu ratio than the ratio in Unit I, and lowermost Unit III with dark (brown) colors and higher contents of Mn, Ni, Cu, and REEs than those in Unit I and II. Unit II can be divided more into two layers of upper Unit IIa and lower Unit IIb. Unit IIb is characterized by high contents of Cu, 3+REEs (REEs except Ce), smectite, and severely deteriorated fossil tests. Unit III can also be divided into two units; upper Unit IIIa with dark brown color, and lower Unit IIIb with black color and enriched Mn and Fe. The KODES area was located near from the East Pacific Rise (EPR) When Unit III Sediments were deposited, considering the hiatus between Unit II and III (Quaternary-Tertiary boundary) and the spreading rate (10 cm/yr) and direction (north southern west) of the Pacific plate from the EPR. High contents of Mn and Fe in Unit IIIb may be related with hydrothermal influence from the EPR. Meanwhile, Unit IIb (about 2~3 Ma) and Unit III (11~30 Ma) layers were probably formed near (or under) the equatorial high productivity zone, and accordingly received a lot of organic materials. As a result, Cu and 3+REEs, closely associated with organic materials, are enriched in smectite and/or Ca-P composites (fish bone debrise, biogenic apatite) after decomposition and reprecipitation on the sea floor. Higher contents of Cu and 3+REEs in Unit IIb and III are suggested to be the result of abundant supply of organic substances in the equatorial high productivity zone.

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Mineral Chemistry and Geochemistry of the Bentonites Intercalated within the Basal Conglomerates of the Tertiary Sediments in Korea and Their Stratigraphical Implication (제3기층 기저역암에 협재되는 벤토나이트의 광물학, 지화학적 연구 및 층서적 적용)

  • 이종천;이규호;문희수
    • Economic and Environmental Geology
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    • v.34 no.1
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    • pp.13-23
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    • 2001
  • Bentonite layers are intercalated within the basal conglomerates in the Tertiary sedimentary basins of Kampo, Janggi and Pohang, southeastern Korea. Eighteen samples of the bentonites went through X-ray diffraction, scanning electron microscopy, heavy mineral analyses, chemical analyses and oxygen, hydrogen stable isotope analyses to define the mineralogical characters of the bentonites. Heavy minerals such as zircons, apatites, amphiboles and biotites separated from bentonites show clean and euhedral surfaces, which are the characteristic features of volcanic origin. But biotites from the Chunbook Conglomerate are found as altered and heavily broken flakes which implies longer transportation of these bentonites. $TiO_{2}/Al_{2}O_{3} ratios of <2 $\mu$m particle fractions (the Chunbook Conglomerate 0.031; Janggi 0.029; Kampo 0.025) suggest that those are originated from volcanic tuffs. That is, the higher the value is, the more mafic in chemical compositions of the original tuffs. Authigenic montmorillonite and zeolite minerals were observed by SEM, which indicates diagenesis origin of bentonites. But the samples from the Chunbook Conglomerate showed only chaotically packed clay flakes in the matrix of sands or conglomerates, which implies detrital influence, not authigenic origin. The structural formulae of montmorillonite from these basins reflects their environment of formation. Fe (Ⅵ) can show the redox condition of its past environment and much lower $Fe^{2+}(Ⅵ)/Fe^{3+}(Ⅵ)$ ratios in montmorillonite of the Chunbook Conglomerate imply the greater oxidizing influence. Calculated burial depths from oxygen stable isotope data of the samples from the Chunbook Conglomerate generally fall to the range of 929~963 m whereas the real burial depth of this area is only 530~580 m. This could be explained as the bentonites of the Chunbook conglomerate had not been formed in situ. Discriminant analyses with the data from chemical analyses and structural formulae of montmorillonites show that bentonites from three different basins could definitely be distinguished with each other. This result arises from the different chemical compositions of original volcanic ashes and the difference of sedimentary environments.

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Palliative Irradiation Using Helical Tomotherapy in Recurrent Pelvic Tumors with Prior Radiotherapy (방사선치료 후 재발한 골반암에서 토모테라피를 이용한 고식적 재치료)

  • Kay, Chul-Seung;Yoo, Eun-Jung;Kim, Ji-Hoon;Ro, Duck-Young;Kim, Ki-Jun
    • Radiation Oncology Journal
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    • v.28 no.3
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    • pp.133-140
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    • 2010
  • Purpose: We retrospectively investigated the effect of irradiation using helical tomotherapy in recurrent pelvic tumors that underwent prior irradiation. Materials and Methods: Fourteen patients with recurrent pelvic tumors consisting of rectal cancer (57.1%), cervical cancer (35.7%) and cancer with an unknown origin (7.1%) were treated with tomotherapy. At the time of irradiation, median tumor size was 3.5 cm and 7 patients complained of pain originating from a recurrent tumor. The median radiation dose delivered to the gross tumor volume, clinical target volume, and planning target volume was 50 Gy, 47.8 Gy and 45 Gy, respectively and delivered at 5 fractions per week over the course of 4 to 5 weeks. Treatment response and duration of local disease control were evaluated using the Response Evaluation Criteria in Solid Tumors (ver. 1.0) and the Kaplan-Meyer method. Treatment-related toxicities were assessed through Common Terminology Criteria for Adverse Events (ver. 3.0). Results: The median follow-up time was 17.3 months, while the response rate was 64.3%. Symptomatic improvement appeared in 6 patients (85.7%). The median duration time of local disease control was 25.8 months. The rates of local failure, distant failure, and synchronous local and distant failure were 57.1%, 21.4%, and 7.1%, respectively. Acute toxicities were limited in grade I or II toxicities, except for one patient. No treatment related death or late toxicity was observed. Conclusion: Helical tomotherapy could be suggested as a feasible palliative option in recurrent pelvic tumors with prior radiotherapy. However, to increase treatment effect and overcome the limitation of this outcome, a large clinical study should be performed.