• Title/Summary/Keyword: Chemical Mass Balance

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Rigorous Model for Spherical Cell-support Aggregate

  • Moon, Seung-Hyeon;Lee, Ki-Beom;Satish J. Paruekar
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.6 no.1
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    • pp.42-50
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    • 2001
  • The activity of immobilized cell-support particle aggregates is influenced by physical and biochemical elements, mass transfer, and physiology. Accordingly, the mathematical model discussed in this study is capable of predicting the steady state and transient concentration profiles of the cell mass and substrate, plus the effects of the substrate and product inhibition in an immobilized cell-support aggregate. The overall mathematical model is comprised of material balance equations for the cell mass, major carbon source, dissolved oxygen, and non-biomass products in a bulk suspension along with a single particle model. A smaller bead size and higher substrate concentration at the surface of the particle, resulted in a higher supply of the substrate into the aggregate and consequently a higher biocatalyst activity.

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Trends of Innovative Clinical Drug Development using AMS (Accelerator Mass Spectrometry) and $^{14}C$-micro Tracer (가속질량분석기(Accelerator mass spectrometry, AMS)와 극미량 $^{14}C$-동위원소를 이용한 혁신적 임상시험개발동향)

  • Cho, Kyung Hee;Lee, Hee Joo;Choie, Hyung Sik;Lee, Kyoung Ryul;Dueker, Stephen R.;Shin, Young G.
    • YAKHAK HOEJI
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    • v.57 no.6
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    • pp.412-419
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    • 2013
  • Drug discovery and development processes are time consuming and costly endeavors. It has been reported that on average it takes 10 to 15 years and costs more than $ 1billion to bring a molecule from discovery to market. Compounds fail for various reasons but one of the significant reasons that accounts for failures in clinical trials is poor prediction/understanding of pharmacokinetics and drug metabolism in human. In an effort to improve the number of compounds that exhibit optimal absorption, distribution, metabolism, elimination (ADME), and pharmacokinetic properties in human, drug metabolism, pharmacokinetic scientists have been continually developing new technologies and compound screening strategies. Over the last few years, accelerator mass spectrometry (AMS) and its applications to preclinical/clinical pharmacokinetics and ADME studies have significantly increased, particularly for new chemical/biological entities that are difficult to support with conventional radiolabel studies. In this review, the application of AMS for micro-dosing, micro-tracer absolute bioavailability, mass balance and metabolite profiling studies will be discussed.

A Study on the PM2.5 Source Characteristics Affecting the Seoul Area Using a Chemical Mass Balance Receptor Model (수용모델을 이용한 서울지역 미세입자 (PM2.5)에 영향을 미치는 배출원 특성에 관한 연구)

  • Lee Hak Sung;Kang Choong-Min;Kang Byung-Wook;Lee Sang-Kwun
    • Journal of Korean Society for Atmospheric Environment
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    • v.21 no.3
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    • pp.329-341
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    • 2005
  • The purpose of this study is to study the $PM_{2.5}$ source characteristics affecting the Seoul area using a chemical mass balance (CMB) receptor model. This study was also to evaluate the $PM_{2.5}$ source profiles, which were directly measured and developed. Asian Dust Storm usually occurred in the spring, and very high $PM_{2.5}$ concentrations were observed in the fall among the sampling periods. So the ambient data collected in the spring and fall were evaluated. The CMB model results as well as the $PM_{2.5}$ source profiles were validated using the diagnostic categories, such as: source contribution estimate, t-statistic, R-square, Chi-square, and percent of total mass explained. In the spring months, the magnitude of $PM_{2.5}$ mass contributors was in the following order: Chinese aerosol $(31.7\%)>$ secondary aerosols ($22.3\%$: ammonium sulfate $13.4\%$ and ammonium nitrate $8.9\%)>$ vehicles ($16.1\%$: gasoline vehicle $1.4\%$ and diesel vehicles $14.7\%)>$biomass burning $(15.5\%)>$ geological material $(10.5\%)$. In the fall months, the general trend of the $PM_{2.5}$ mass contributors was the following: biomass burning $(31.1\%)>$ vehicles ($26.9\%$: gasoline vehicle $5.1\%$ and diesel vehicles $21.8\%)>$ secondary aerosols ($23.0\%$: ammonium sulfate $9.1\%$ and ammonium nitrate $13.9\%)>$ Chinese aerosol $(10.7\%)$. The results show that the $PM_{2.5}$ mass in the Seoul area was mainly affected by the Chinese area.

Purity Assessment of Organic Reference Materials with a Mass Balance Method: A Case Study of Endosulfan-II

  • Kim, Seung-Hyun;Lee, Joonhee;Ahn, Seonghee;Song, Young-Sin;Kim, Dong-Kyum;Kim, Byungjoo
    • Bulletin of the Korean Chemical Society
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    • v.34 no.2
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    • pp.531-538
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    • 2013
  • A mass balance method established in this laboratory was applied to determine the purity of an endosulfan-II pure substance. Gas chromatography-flame ionization detector (GC-FID) was used to measure organic impurities. Total of 10 structurally related organic impurities were detected by GC-FID in the material. Water content was determined to be 0.187% by Karl-Fischer (K-F) coulometry with an oven-drying method. Non-volatile residual impurities was not detected by Thermal gravimetric analysis (TGA) within the detection limit of 0.04% (0.7 ${\mu}g$ in absolute amount). Residual solvents within the substance were determined to be 0.007% in the Endosulfan-II pure substance by running GC-FID after dissolving it with two solvents. The purity of the endosulfan-II was finally assigned to be ($99.17{\pm}0.14$)%. Details of the mass balance method including interpretation and evaluating uncertainties of results from each individual methods and the finally assayed purity were also described.

Calculation of Mass-Heat Balance on the Iodine Crystallizer for SI Thermochemical Hydrogen Production Process (SI 열화학 수소 생산 공정 요오드 결정화기 열-물질 수지 계산)

  • Lee, Pyoung Jong;Park, Byung Heung
    • Journal of Institute of Convergence Technology
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    • v.5 no.1
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    • pp.1-5
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    • 2015
  • SI thermochemical hydrogen production process achieves water splitting into hydrogen and oxygen through three chemical reactions. The process is comprised of three sections and one of them is HI decomposition into $H_2$ and $I_2$ called as Section III. The production of $H_2$ included processes involving EED for concentrating a product stream from Section I. Additionally an $I_2$ crystallization would be considered to reduce burden on EED by removing certain amount of $I_2$ out of a process stream prior to EED. In this study, the current thermodynamic model of SI process was briefly described and the calculation results of the applied Electrolytes NRTL model for phase equilibrium calculations was illustrated for ternary systems of Section III. We calculated temperature and heat duty of an $I_2$ crystallizer and heat duty of heaters using UVa model and heat balance equation of simulation tool. The results were expected to be used as operation information in optimizing HI decomposition process and setting up material balance throughout SI process.

Application of Representative $PM_{2.5}$ Source Profiles for the Chemical Mass Balance Study in Seoul

  • Kang, Choong-Min;Kang, Byung-Wook;SunWoo, Young;Lee, Hak-Sung
    • Journal of Korean Society for Atmospheric Environment
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    • v.24 no.E1
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    • pp.32-43
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    • 2008
  • Source samples were collected to construct source profiles for 9 different source types, including soil, road dust, gasoline/diesel-powered vehicles, a municipal incinerator, industrial sources, agricultural/biomass burning, marine aerosol, and a coal-fired power plant. Seasonal profiles for 'Chinese aerosol', aerosols derived from the urban area of China, were reconstructed from seasonal $PM_{2.5}$ compositions reported in Beijing, China. Ambient $PM_{2.5}$ at a receptor site was also measured during each of the four seasons, from April 2001 to February 2002, in Seoul. The Chemical Mass Balance receptor model was applied to quantify source contributions during the study period using the estimated source profiles. Consequently, motor vehicle exhaust (33.0%), in particular 23.9% for diesel-powered vehicles, was the largest contributor affecting the $PM_{2.5}$ levels in Seoul, followed by agricultural/biomass burning (21.5%) and 'Chinese aerosol' (13.1%), indicating contributions from long-range transport. The largest contributors by season were: for spring, 'Chinese aerosol' (31.7%); for summer, motor vehicle exhaust (66.9%); and for fall and winter, agricultural/biomass burning (31.1% and 40.1%, respectively). These results show different seasonal patterns and sources affecting the $PM_{2.5}$ level in Seoul, than those previously reported for other cities in the world.

A study on the Gasifier Modeling using a Chemical Equilibrium (화학평형을 이용한 가스화기 모델링에 관한 연구)

  • 정근모;임태훈;오인환;박명호
    • Journal of Energy Engineering
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    • v.2 no.3
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    • pp.276-284
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    • 1993
  • This study is to obtain some basic data which are prerequisite for the conceptual design of gasification process based on entrained-bed type gasifier. The Gibbs free energy minimization method is used to analyze the chemical equilibrium in the gasifier. The modeling results which consider the conventional mass balance and heat balance are compared with the experimental data published by Electric Power Research Institute. The analysis shows that the reaction in a entrained-bed gasifier is influenced mainly by the amount of oxidant, by the temperature of gasifier and by the type of coals.

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Characterizing a Full Spectrum of Physico-Chemical Properties of Ginsenosides Rb1 and Rg1 to Be Proposed as Standard Reference Materials

  • Kim, Il-Woung;Hong, Hee-Do;Choi, Sang-Yoon;Hwang, Da-Hye;Her, Youl;Kim, Si-Kwan
    • Journal of Ginseng Research
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    • v.35 no.4
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    • pp.487-496
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    • 2011
  • Good manufacturing practice (GMP)-based quality control is an integral component of the common technical document, a formal documentation process for applying a marketing authorization holder to those countries where ginseng is classified as a medicine. In addition, authentication of the physico-chemical properties of ginsenoside reference materials, and qualitative and quantitative batch analytical data based on validated analytical procedures are prerequisites for certifying GMP. Therefore, the aim of this study was to propose an authentication process for isolated ginsenosides $Rb_1$ and $Rg_1$ as reference materials (RM) and for these compounds to be designated as RMs for ginseng preparations throughout the world. Ginsenoside $Rb_1$ and $Rg_1$ were isolated by Diaion HP-20 adsorption chromatography, silica gel flash chromatography, recrystallization, and preparative HPLC. HPLC fractions corresponding to those two ginsenosides were recrystallized in appropriate solvents for the analysis of physico-chemical properties. Documentation of the isolated ginsenosides was made according to the method proposed by Gaedcke and Steinhoff. The ginsenosides were subjected to analyses of their general characteristics, identification, purity, content quantitation, and mass balance tests. The isolated ginsenosides were proven to be a single compound when analyzed by three different HPLC systems. Also, the water content was found to be 0.940% for $Rb_1$ and 0.485% for $Rg_1$, meaning that the net mass balance for ginsenoside $Rb_1$ and $Rg_1$ were 99.060% and 99.515%, respectively. From these results, we could assess and propose a full spectrum of physicochemical properties for the ginsenosides $Rb_1$ and $Rg_1$ as standard reference materials for GMP-based quality control.

Modeling, simulation and structural analysis of a fluid catalytic cracking (FCC) process

  • Kim, Sungho;Urm, Jaejung;Kim, Dae Shik;Lee, Kihong;Lee, Jong Min
    • Korean Journal of Chemical Engineering
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    • v.35 no.12
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    • pp.2327-2335
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    • 2018
  • Fluid catalytic cracking (FCC) is an important chemical process that is widely used to produce valuable petrochemical products by cracking heavier components. However, many difficulties exist in modeling the FCC process due to its complexity. In this study, a dynamic process model of a FCC process is suggested and its structural observability is analyzed. In the process modeling, yield function for the kinetic model of the riser reactor was applied to explain the product distribution. Hydrodynamics, mass balance and energy balance equations of the riser reactor and the regenerator were used to complete the modeling. The process model was tested in steady-state simulation and dynamic simulation, which gives dynamic responses to the change of process variables. The result was compared with the measured data from operating plaint. In the structural analysis, the system was analyzed using the process model and the process design to identify the structural observability of the system. The reactor and regenerator unit in the system were divided into six nodes based on their functions and modeling relationship equations were built based on nodes and edges of the directed graph of the system. Output-set assignment algorithm was demonstrated on the occurrence matrix to find observable nodes and variables. Optimal locations for minimal addition of measurements could be found by completing the whole output-set assignment algorithm of the system. The result of this study can help predict the state more accurately and improve observability of a complex chemical process with minimal cost.

Estimation of Quantitative Source Contribution of VOCs in Seoul Area (서울지역에서의 VOCs 오염원 기여도 추정에 관한 연구)

  • 봉춘근;윤중섭;황인조;김창녕;김동술
    • Journal of Korean Society for Atmospheric Environment
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    • v.19 no.4
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    • pp.387-396
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    • 2003
  • A field study was conducted during the summer time of 2002 to determine compositions of volatile organic compounds (VOCs) emitted from vehicles and to develop source emission profiles that is applied to CMB model to estimate the source contribution of certain area. Source emission profile is widely used for the estimation of source contribution by the chemical mass balance model and have to be developed applicable for the target area of estimation. This study was aimed to develop source emission profile and estimation of source contribution of VOCs after application of the chemical mass balance (CMB) receptor model. After considering the emission inventory and other research results for the VOCs in Seoul, Korea, the sources like vehicle emission (tunnel), gas station (gasoline, diesel), solvent usage (painting operation, dry cleaning, graphic art), and gas fuels were selected for the major VOCs sources. Furthermore, ambient air samples were simultaneously collected from 09:00 to 11:00 for four days at eight different official air quality monitoring sites as receptors in Seoul during summer of 2001. Source samples were collected by canisters, and then about seventy volatile organic compounds were analyzed by gas chromatography with flame ionization detector (GC/FID). Based on both the developed source profiles and the database of the receptors, CMB model was intensively applied to estimate mass contribution of VOCs sources. Examining the source profile from the vehicle, the portion of alkanes of VOCs was highest, and then the portion of aromatics such toluene, m/p-xylene were followed. In case of gas fuel. they have their own components; the content of butane, propane, ethane was higher than any other component according to the fuel usage. The average of the source apportionment on VOCs for 8 sites showed that the major sources were vehicle emission and gas fuels. The vehicle emission source was revealed as having the highest contribution with an average of 49.6%, and followed by solvent with 21.3%, gas fuel with 16.1%, gasoline with 13.1%.