• Title/Summary/Keyword: Physico-chemical analysis

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Density Functional Theoretical Study on Intermolecular Interactions of 3,6-Dihydrazino-1,2,4,5-tetrazine Dimers

  • Hu, Yin;Ma, Hai-Xia;Li, Jun-Feng;Gao, Rong;Song, Ji-Rong
    • Bulletin of the Korean Chemical Society
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    • v.31 no.10
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    • pp.2897-2902
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    • 2010
  • Seven fully optimized geometries of 3,6-dihydrazino-1,2,4,5-tetrazine (DHT) dimers have been obtained with density functional theory (DFT) method at the B3LYP/$6-311++G^{**}$ level. The intermolecular interaction energy was calculated with zero point energy (ZPE) correction and basis set superposition error (BSSE) correction. The greatest corrected intermolecular interaction energy of the dimers is $-23.69\;kJ{\cdot}mol^{-1}$. Natural bond orbital (NBO) analysis is performed to reveal the origin of the interaction. Based on the vibrational analysis, the changes of thermodynamic properties from the monomers to dimer with the temperature ranging from 200.0 K to 800.0 K have been obtained using the statistical thermodynamic method. It was found that the hydrogen bonds dominantly contribute to the dimers, while the binding energies are not only determined by hydrogen bonding. The dimerization process can not occur spontaneously at given temperatures.

Preparation, Structural Investigation and Thermal Decomposition Behavior of Two High-Nitrogen Energetic Materials: ZTO·2H2O and ZTO(phen)·H2O

  • Ma, Cong;Huang, Jie;Zhong, Yi Tang;Xu, Kang Zhen;Song, Ji Rong;Zhang, Zhao
    • Bulletin of the Korean Chemical Society
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    • v.34 no.7
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    • pp.2086-2092
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    • 2013
  • Two new high-nitrogen energetic compounds $ZTO{\cdot}2H_2O$ and $ZTO(phen){\cdot}H_2O$ have been synthesized (where ZTO = 4,4-azo-1,2,4-triazol-5-one and phen = 1,10-phenanthroline). The crystal structure, elemental analysis and IR spectroscopy are presented. Compound 1 $ZTO{\cdot}2H_2O$ crystallizes in the orthorhombic crystal system with space group Pnna and compound 2 $ZTO(phen){\cdot}H_2O$ in the triclinic crystal system with space group P-1. In $ZTO(phen){\cdot}H_2O$, there is intermolecular hydrogen bonds between the -NH group of ZTO molecule (as donor) and N atom of phen molecule (as acceptor). Thermal decomposition process is studied by applying the differential scanning calorimetry (DSC) and thermo thermogravimetric differential analysis (TG-DTG). The DSC curve shows that there is one exothermic peak in $ZTO{\cdot}2H_2O$ and $ZTO(phen){\cdot}H_2O$, respectively. The critical temperature of thermal explosion ($T_b$) for $ZTO{\cdot}2H_2O$ and $ZTO(phen){\cdot}H_2O$ is $282.21^{\circ}C$ and $195.94^{\circ}C$, respectively.

Physico-Chemical and Sensory Properties of Commercial Korean Traditional Soy Sauce of Mass-Produced vs. Small Scale Farm Produced in the Gyeonggi Area (한식 간장의 이화학 및 관능적 특성 - 대기업 시판 제품과 경기지역 소규모 농가 생산 제품의 비교 -)

  • Choi, Nam-Soon;Chung, Seo-Jin;Choi, Ji-Yeon;Kim, Hye-Won;Cho, Jung-Joo
    • The Korean Journal of Food And Nutrition
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    • v.26 no.3
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    • pp.553-564
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    • 2013
  • The core ingredient of traditional Korean style soy sauce is soy bean without any wheat or rice incorporated. National brands as well as regional micro-brewed companies constitute the soy sauce market in Korea. The present study investigated the physico-chemical and sensory properties of soy sauces produced by small-scale or mass-production. Additionally, the key physico-chemical parameters sufficiently representing the critical sensory characteristics have been identified. Ten types of soy sauce brewed by the Korean traditional method were selected for the study. Among these samples, seven types were brewed in small-scales in the Gyeonggi-do region whereas the other 3 types were mass-production products of major national brands. The total solid, reducing sugar, salinity, sugar content, amino nitrogen, CIELAB, acidity, and pH of soy sauce samples were measured for the physico-chemical analysis. A generic descriptive analysis was conducted to analyze the sensory characteristics of the samples using six trained panelists. The descriptive panel developed 21 sensory attributes. The data were statistically analyzed using ANOVA, PCA and PLSR. Overall, the micro-brewed products showed significantly higher value of salinity and acidity but lower content of reducing sugar than the mass-production products. The micro-brewed soy sauces elicited stronger fermented flavor, sourness, and bitterness whereas the national brand products elicited stronger alcoholic odor, sweetness and umami taste. Sugar content, acidity, and amino nitrogen showed strong relationships with fish sauce flavor, umami taste, and rich flavor. Salinity was closely related to the overall flavor intensity.

Physico-Chemical Properties of Natural Zeolite -On the Zeolite from Kampo Area- (천연 제올라이트의 물리화학적 성질 -경북 감포산 제올라이트에 관하여-)

  • 조승래;이홍기;이주성;심미자;김상욱
    • Journal of the Korean institute of surface engineering
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    • v.26 no.6
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    • pp.334-340
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    • 1993
  • The physico-chemical properties and characteristics after thermal treatment of natural zeolite from Kampo area were studied. The physico-chemical properties of natural zeolite were studied by investigating chemical composition, x-ray diffraction pattern(XRD), scanning electronic microscope(SEM), infrared spec-tra(IR), thermal analysis(TA), and cation exchange capacity(C.E.C.), and the characteristics of natural zeo-lite after thermal treatment from $400^{\circ}C$ to $900^{\circ}C$ were compared with the natural zeolite. This study showed that clinoptilolite was the predominant costituent in natural zeolite, and the natural zeolite contained a little amount of quartz and feldspar as impurities. Zeolite mineral was seen to develop slowly by the natural alternation of volcanic ash considering the almost amorphous crystal structure. The more temperature of ther-mal treatment increased, the more adsorption capacity decreased, considering the fact that the hydroxy peak diminished on infrared spectra, and that cation exchange capacity also decreased distinctly.

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Morphological and Physico-chemical Comparison of Some Nutrient and Tonic Drugs (수종(數種) 자양(滋養) 강장생약류(强壯生藥類)의 형태(形態) 및 이화학적(理化學的) 성상(性狀) 비교(比較))

  • Toh, Chung-Ae
    • Korean Journal of Pharmacognosy
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    • v.20 no.4
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    • pp.243-253
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    • 1989
  • Anatomical and physico-chemical properties of some nutrient and tonic crude drugs have been estimated and compared. Resin duct and druse crystal were observed more in Acanthopanax Cortex than in Ginseng Radix. Bast fiber bundle and solitary crystals were abandantly present in Glycyrrhizae Radix. Mucilage crude drugs contained mucilage ducts and bundles of raphides as common components and their arrangements of vascular bundles were different. TLC analysis showed different patterns of saponin, flavonoid, ${\gamma}-aminobutyric$ acid and sitosterols.

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The Effects of Physico-Chemical Factors on the Microbial Population in Groundwater (지하수 세균 군집에 미치는 물리화학적 환경요인의 영향)

  • 안영범;김여원;이대영;민병례;최영길
    • Journal of the Korean Society of Groundwater Environment
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    • v.5 no.4
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    • pp.215-222
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    • 1998
  • The objective of this study was to investigate the effects of physico-chemical environmental factors on the changes of bacterial population from two sites used for drinking water and eight sites polluted with various pollutant in Seoul city. In all the stations except for two sites used for drinking water, the concentrations of nitrate- nitrogen and ammonia were in excess of the criteria of groundwater quality by the result of analysis of 40 variations including physicochemical environmental factors, heavy metals, and bacterial populations. The numbers of total bacteria, heterotrophic bacteria and functional groups of bacteria were ranged from 5.1 to 41.4${\times}$10$\^$5/cells/ml and from 0.01 to 29.6${\times}$10$^4$cfu/ml, respectively. The activities of extracellular enzymes showed the ranges of 0.005∼11.3${\mu}$M/l/hr and its order to lipase, phophatase, ${\beta}$-glucosidase, cellulase, chitinase, amylase. The results of correspondence and multidimensional scaling analysis between bacterial populations and its physico-chemical environmental factors were explained the effects of physico-chemical environmental factors according to site characters and separated four group, which is accord with potential pollutants at wells.

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Physico-chemical characterization of individual particles emitted from the air pollution point sources (대기 점오염원에서 배출되는 개별입자상물질의 물리화학적 특성)

  • Park Jeong-Ho;Suh Jeong-Min
    • Journal of Environmental Science International
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    • v.14 no.8
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    • pp.761-770
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    • 2005
  • Scanning electron microscopy / energy dispersive X-ray analyzer(SEM/EDX) has played an important role for evaluation the source of atmospheric particle because it is a powerful tool for characterizing individual particles. The SEM/EDX system provides various physical parameters like optical diameter, as well as chemical information for a particle-by-particle basis. The purpose of the study was to classify individual particle emitted from the point sources based on clustering analysis and physico-chemical analysis by SEM/EDX. The total of 490 individual particle were analyzed at 8 point sources including coal-fired power plant, incinerator, H-C oil boiler, and metal manufacturing industry. The main components were Si and AI in the coal-fired power plant, Cl and Na in the domestic waste Incinerator, S in the H-C oil boiler and S and Fe in the metal manufactory industry, respectively.

Studies on the Adsorptive Properties of Korean Kaolin(I) Physico-chemical Properties of Korean Kaolin (국산카올린의 흡착성에 관한 연구(I) 국산카올린의 물성)

  • 이계주;정필조
    • YAKHAK HOEJI
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    • v.29 no.2
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    • pp.96-102
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    • 1985
  • Innovated utilization of Korean kaolins as pharmaceuticals is attempted, for which relevant properties including adsorptive behaviours are observed in connection with their mineralogical structures. In practice, physico-chemical properties are assessed by means of IR, XRD and thermal analysis including DTA, TG and DSC. Elemental analysis of the ore specimens under investigation is carried out in conventional manners. It is found that the chemical compositions are varied significantly with sampling sites and primary classifications. The clay ores thus analyzed are mainly composed of halloysite species. Proper benefication of the raw clays is necessary so that authentic requirements for medicinal use may be satisfied. White-colored premium grade halloysite could be utilized as therapeutics with relative ease after purification. Evidence indicates that gibbsite-like impurities are intercalated between the 1 : 1 layered moieties. Thermal behaviours may be characterized in such a fashion that loss of free water occurs near 100.deg. C and further heatings result in liberation of bound water near 500.deg. C, with subsequent transformation into amorphous metastable entities. Through thermal activation, enhanced pharmaceutical effects could be envisaged.

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Studies on the Variation of Physico-Chemical Characteristics During Storage and Frying (고추씨 기름의 저장 및 가열에 따른 이화학적 변화에 관한 연구)

  • Choi, Young-Jin;Ko, Young-Su
    • Korean journal of food and cookery science
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    • v.6 no.2
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    • pp.67-76
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    • 1990
  • To observe the propability as the frying oil and oxidative stability of red pepper seed oil, some physico-chemical tests of the oil were examined during 21 days storage period at 5$^{\circ}C$, 15$^{\circ}C$ and 30$^{\circ}C$, and AOM value determined and after heating the oil at 180${\pm}$5$^{\circ}C$ for 40 hours with or without antioxidants. The analysis storage stability of red pepper seed oil showed that the quality of storage group at 5$^{\circ}C$ was almost as good as fresh oil, and the storage group at 30$^{\circ}C$ showed certain degree of rancidity. Change of physico-chemical characteristic during storage were so small so that storage stability of red pepper seed oil was found to be good. AOM stability of red pepper seed oil was 7 hours which is lower than other vegetable oil, but the degree of stability grew greatly after adding phenolic antioxidants, such on TBHQ or PG. As for the chemical change after heating continuously for 40 hours, acid value, peroxide value and refractive index increased, but iodine value decreased as the heating processed. The fatty acid composition also showed the remarkable reduction of linoleic acid. The addition of antioxidants resulted in the delay of oxidation, the degree of which was greater in TBHQ than in PG.

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