• 제목/요약/키워드: nonlinear chemical process

검색결과 84건 처리시간 0.025초

BIOLOGICALLY-BASED DOSE-RESPONSE MODEL FOR NEUROTOXICITY RISK ASSESSMENT

  • Slikker, William Jr.;Gaylor, David W.
    • Toxicological Research
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    • 제6권2호
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    • pp.205-213
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    • 1990
  • The regulation of neurotoxicants has usually been based upon setting reference doses by dividing a no observed adverse effect level (NOAEL) by uncertainty factors that theoretically account for interspecies and intraspecies extraploation of experimental results in animals to humans. Recently, we have proposed a four-step alternative procedure which provides quantitative estimates of risk as a function of dose. The first step is to establish a mathematical relationship between a biological effect or biomarker and the dose of chemical administered. The second step is to determine the distribution (variability) of individual measurements of biological effects or their biomarkers about the dose response curve. The third step is to define an adverse or abnormal level of a biological effect or biomarker in an untreated population. The fourth and final step is to combine the information from the first three steps to estimate the risk (proportion of individuals exceeding on adverse or abnormal level of a biological effect or biomarker) as a function of dose. The primary purpose of this report is to enhance the certainty of the first step of this procedure by improving our understanding of the relationship between a biomarker and dose of administered chemical. Several factors which need to be considered include: 1) the pharmacokinetics of the parent chemical, 2) the target tissue concentrations of the parent chemical or its bioactivated proximate toxicant, 3) the uptake kinetics of the parent chemical or metabolite into the target cell(s) and/or membrane interactions, and 4) the interaction of the chemical or metabolite with presumed receptor site(s). Because these theoretical factors each contain a saturable step due to definitive amounts of required enzyme, reuptake or receptor site(s), a nonlinear, saturable dose-response curve would be predicted. In order to exemplify this process, effects of the neurotoxicant, methlenedioxymethamphetamine (MDMA), were reviewed and analyzed. Our results and those of others indicate that: 1) peak concentrations of MDMA and metabolites are ochieved in rat brain by 30 min and are negligible by 24 hr, 2) a metabolite of MDMA is probably responsible for its neurotoxic effects, and 3) pretreatment with monoamine uptake blockers prevents MDMA neurotoxicity. When data generated from rats administerde MDMA were plotted as bilolgical effect (decreases in hippocampal serotonin concentrations) versus dose, a saturation curve best described the observed relationship. These results support the hypothesis that at least one saturable step is involved in MDMA neurotoxicity. We conclude that the mathematical relationship between biological effect and dose of MDMA, the first step of our quantitative neurotoxicity risk assessment procedure, should reflect this biological model information generated from the whole of the dose-response curve.

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Flux Optimization Using Genetic Algorithms in Membrane Bioreactor

  • Kim Jung-Mo;Park Chul-Hwan;Kim Seung-Wook;Kim Sang-Yong
    • Journal of Microbiology and Biotechnology
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    • 제16권6호
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    • pp.863-869
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    • 2006
  • The behavior of submerged membrane bioreactor (SMBR) filtration systems utilizing rapid air backpulsing as a cleaning technique to remove reversible foulants was investigated using a genetic algorithm (GA). A customized genetic algorithm with suitable genetic operators was used to generate optimal time profiles. From experiments utilizing short and long periods of forward and reverse filtration, various experimental process parameters were determined. The GA indicated that the optimal values for the net flux fell between 263-270 LMH when the forward filtration time ($t_f$) was 30-37 s and the backward filtration time ($t_b$) was 0.19-0.27 s. The experimental data confirmed the optimal backpulse duration and frequency that maximized the net flux, which represented a four-fold improvement in 24-h backpulsing experiments compared with the absence of backpulsing. Consequently, the identification of a region of feasible parameters and nonlinear flux optimization were both successfully performed by the genetic algorithm, meaning the genetic algorithm-based optimization proved to be useful for solving SMBR flux optimization problems.

Flow Dynamics Near End-To-End Anastomoses - Part I. In Vitro Compliance Measurement -

  • Kim, Y.H
    • 대한의용생체공학회:의공학회지
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    • 제13권2호
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    • pp.165-174
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    • 1992
  • Compliance mismatch across an end-to-end anastomosis was measured In the In vitro experimental setup. A 35mm camera was used and Image process was done in Gould/ DeAnza Image processor. The results showed that compliances of Penrose tubing and synthetic PTFE grafts were In good agreement with the previously reported In vivo data. PTFE grafts exhibited a nonlinear behavior with compliance decreasing with Increasing transmural pressure, whereas the compliance of the Penrose tubing remained relatively constant within the range of the pressures in which data were obtained. The lumen cross sections at the anastomosis were affected by the suture and the mismatch In compliance between the Penrose tubing and vascular grafts. The varla~lons In the lumen dtameter at the anastomosis was more pronounced with increasing transmural pressures. From the present study, it was clearly demonstrated that the compliance of prosthetic grafts Is much lower than that of the arteries. In addition to the hemodynamlc consequences, compliance mismatch across the anastomosis has been known to lead to Increased anastomotlc and suture stresses with resultant suture line dehlscence and false aneurysm formation. Thus, there are good hemodynamic reasons to suppose that Introduction of a less compliant arterial graft Into the arterial circulation wlll be damaging and that grafts should be made to match the elastic behavior of their host arteries as closely possible.

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국지 부유퇴적물 농도의 결정을 위한 연직1차원 이류확산 방정식의 해석해 (An Analytical Solution of the Vertically One-dimensional Convection-Diffusion Equation for the Determination of Local Suspended Sediment Concentration)

  • Jung, Kyung-Tae;Jin, Jae-Youll;Kang, Hyoun-Woo;Cho, Hong-Yeon;Kim, Mee-Kyung;John Noye
    • 한국해안해양공학회:학술대회논문집
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    • 한국해안해양공학회 2003년도 한국해안해양공학발표논문집
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    • pp.208-215
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    • 2003
  • Convective-diffusion equations appear in various disciplines such as hydrology, chemical engineering and oceanography dealing with the transport problem of scalar quantities. Since it is nonlinear, numerical methods are generally used to obtain its solution. Very limited number of analytical solutions are available usually in cases when the convective velocity is constant or has a simple functional form (for some collection of the solutions, see Noye, 1987). There is however a continuing need to develop analytical solutions because of its practical importance. Analytical solutions of the convection-diffusion equation are valuable not only for the better understanding on the transport process but the verification of numerical schemes. (omitted)

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Support vector machine for prediction of the compressive strength of no-slump concrete

  • Sobhani, J.;Khanzadi, M.;Movahedian, A.H.
    • Computers and Concrete
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    • 제11권4호
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    • pp.337-350
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    • 2013
  • The sensitivity of compressive strength of no-slump concrete to its ingredient materials and proportions, necessitate the use of robust models to guarantee both estimation and generalization features. It was known that the problem of compressive strength prediction owes high degree of complexity and uncertainty due to the variable nature of materials, workmanship quality, etc. Moreover, using the chemical and mineral additives, superimposes the problem's complexity. Traditionally this property of concrete is predicted by conventional linear or nonlinear regression models. In general, these models comprise lower accuracy and in most cases they fail to meet the extrapolation accuracy and generalization requirements. Recently, artificial intelligence-based robust systems have been successfully implemented in this area. In this regard, this paper aims to investigate the use of optimized support vector machine (SVM) to predict the compressive strength of no-slump concrete and compare with optimized neural network (ANN). The results showed that after optimization process, both models are applicable for prediction purposes with similar high-qualities of estimation and generalization norms; however, it was indicated that optimization and modeling with SVM is very rapid than ANN models.

Kinetic Studies of Alkaline Protease from Bacillus licheniformis NCIM-2042

  • Bhunia, Biswanath;Basak, Bikram;Bhattacharya, Pinaki;Dey, Apurba
    • Journal of Microbiology and Biotechnology
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    • 제22권12호
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    • pp.1758-1766
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    • 2012
  • An extensive investigation was carried out to describe the kinetics of cell growth, substrate consumption, and product formation in the batch fermentation using starch as substrate. Evaluation of intrinsic kinetic parameters was carried out using a best-fit unstructured model. A nonlinear regression technique was applied for computational purpose. The Andrew's model showed a comparatively better $R^2$ value among all tested models. The values of specific growth rate (${\mu}_{max}$), saturation constant ($K_S$), inhibition constant ($K_I$), and $Y_{X/S}$ were found to be 0.109 $h^{-1}$, 11.1 g/l, 0.012 g/l, and 1.003, respectively. The Leudeking-Piret model was used to study the product formation kinetics and the process was found to be growth-associated. The growth-associated constant (${\alpha}$) for protease production was sensitive to substrate concentration. Its value was fairly constant up to a substrate concentration of 30.8 g/l, and then decreased.

Kinetic Study on Nucleophilic Substitution Reactions of 4-Chloro-2-nitrophenyl X-Substituted-benzoates with Cyclic Secondary Amines: Effect of Substituent X on Reactivity and Reaction Mechanism

  • Jeon, Seong Hoon;Kim, Hyun Soo;Han, Young Joon;Kim, Min-Young;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • 제34권10호
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    • pp.2983-2988
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    • 2013
  • Second-order rate constants ($k_N$) have been measured spectrophotometrically for the reactions of 4-chloro-2-nitrophenyl X-substituted-benzoates (1a-1h) with a series of cyclic secondary amines in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$. The Hammett plot for the reactions of 1a-1h with piperidine consists of two intersecting straight lines, while the Yukawa-Tsuno plot exhibits an excellent linear correlation with ${\rho}_X $ = 1.25 and r = 0.58, indicating that the nonlinear Hammett plot is not due to a change in the rate-determining step (RDS) but is caused by ground-state stabilization through resonance interactions for substrates possessing an electron-withdrawing group in the benzoyl moiety. The Br${\o}$nsted-type plot for the reactions of 4-chloro-2-nitrophenyl benzoate (1d) with a series of cyclic secondary amines curves downward with ${\beta}_2$ = 0.85, ${\beta}_1$ = 0.24, and $pK_a{^o}$ = 10.5, implying that a change in RDS occurs from the $k_2$ step to the $k_1$ process as the $pK_a$ of the conjugate acid of the amine exceeds 10.5. Dissection of $k_N$ into the microscopic rate constants $k_1$ and $k_2/k_{-1}$ ratio associated with the reaction of 1d reveals that $k_2$ is dependent on the amine basicity, which is contrary to generally held views.

Modeling reaction injection molding process of phenol-formaldehyde resin filled with wood dust

  • Lee, Jae-Wook;Kwon, Young-Don;Leonov, A.I.
    • Korea-Australia Rheology Journal
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    • 제20권2호
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    • pp.59-63
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    • 2008
  • A theoretical model was developed to describe the flow behavior of a filled polymer in the packing stage of reaction injection molding and predict the residual stress distribution of thin injection-molded parts. The model predictions were compared with experiments performed for phenol-formaldehyde resin filled with wood dust and cured by urotropine. The packing stage of reaction injection molding process presents a typical example of complex non-isothermal flow combined with chemical reaction. It is shown that the time evolution of pressure distribution along the mold cavity that determines the residual stress in the final product can be described by a single 1D partial differential equation (PDE) if the rheological behavior of reacting liquid is simplistically described by the power-law approach with some approximations made for describing cure reaction and non-isothermality. In the formulation, the dimensionless time variable is defined in such a way that it includes all necessary information on the cure reaction history. Employing the routine separation of variables made possible to obtain the analytical solution for the nonlinear PDE under specific initial condition. It is shown that direct numerical solution of the PDE exactly coincides with the analytical solution. With the use of the power-law approximation that describes highly shear thinning behavior, the theoretical calculations significantly deviate from the experimental data. Bearing in mind that in the packing stage the flow is extremely slow, we employed in our theory the Newtonian law for flow of reacting liquid and described well enough the experimental data on evolution of pressure.

호흡률 및 송풍기 제어 기반 포기조 최적 DO 농도 설정과 전력 비용 절감 연구 (Optimal DO Setpoint Decision and Electric Cost Saving in Aerobic Reactor Using Respirometer and Air Blower Control)

  • 이광수;김민한;김종락;유창규
    • Korean Chemical Engineering Research
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    • 제52권5호
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    • pp.581-586
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    • 2014
  • 하수처리장을 운영함에 있어 안정적인 방류수질 확보와 이에 따른 처리 비용을 최소화하는 것이 주요 목적이다. 하지만 유입수 유량 및 성분 농도의 변화와 미생물의 비선형적인 동특성, 기타 환경 요인에 의해서 최적의 운전 제어를 하기가 쉽지 않기 때문에, 기존의 하수처리장에서는 필요한 양 이상의 폭기 및 화학물질을 과량 주입하는 방법 등을 사용하였다. 본 연구에서는 포기조에서 미생물에 필요한 용존산소농도는 유지하면서 과폭기로 인한 전력 비용을 감소하는 최적 제어 방법을 제안하였다. 하수조성와 포기조 미생물의 호흡률은 실시간 미생물 호흡률 측정기(Oxygen uptake rate, OUR)를 이용하여 측정하였고, 실시간 호흡률 측정값을 바탕으로 현재 미생물에 필요한 최적 DO 농도를 제안하였다. 유입수 부하변동에 따라 변화하는 미생물 호흡에 필요한 산소량 만큼만 폭기하도록 구성함으로써, 방류수 수질기준을 만족함과 동시에 전력 비용을 최소화할 수 있는 방안을 제시하였다.

열성형공정의 3차원 유한요소해석 (3-Dimensional Finite Element Analysis of Thermoforming Processes)

  • G.J. Nam;D.S. Son;Lee, J.W.
    • 유변학
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    • 제11권1호
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    • pp.18-27
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    • 1999
  • 본 연구에서는 3차원 열성형 공정 알고리듬과 이에 membrane approximation을 도입한 근사적인 알고리듬을 개발하였고, 이 알고리듬을 이용하여 몇몇 열성형계에 대한 수치모사를 수행하여 그 결과를 비교 분석하였다. 3차원 알고리듬의 경우에는 구성한 유한요소 평형 방정식에 벌칙함수를 도입하여 비압축성 조건을 만족시켜 해를 얻었으며, membrane approximation을 도입한 알고리듬의 경우에는 두께 방향의 응력을 무시하여 구성한 방정식으로부터 해를 얻었다. 구성방정식은 2nd Piola-Kirchhoff 응력 텐서와 Cauchy-Green 변형 텐서를 사용하여 표현하였고 수지의 물질 모델식으로는 2항의 Mooney-Rivlin 모델을 사용하였으며, total Lagrangian coordinate를 도입하여 지배방정식을 유한요소화함으로써 알고리듬을 구성하였다. 대상계로 선정한 사각평판 수지의 자유 부풀림 거동과 금형이 있는 경우에서의 수지의 부풀림 거동을 3차원 알고리듬과 membrane approximation 알고리듬을 각각 이용하여 분석하였으며 3차원 알고리듬의 경우 clamping 부분의 경계조건을 달리하여 결과를 비교하였다. 금형이 있는 계에 대해서는 slip 경계조건과 no-slip 경계조건을 각각 부여하여 수치모사를 수행, 수지의 변형거동과 응력분포를 비교 분석하였으며, 두께를 달리 한 수지에 대해 두께 방향의 응력을 비교 분석함으로써 membrane approximation 알고리듬의 한계에 대하여 논하였다. 한편 수지 온도 변화에 따른 성형품의 두께 분포의 변화를 살펴보기 위하여 ABS 수지를 대상으로 하여 $137.8^{\circ}C$에서 $171.1^{\circ}C$사이의 온도에서 수행한 인장실험 데이터를 수치모사에 사용하였다. 그 결과 수지의 온도가 높을수록 두께의 표준편차가감소하여 균일한 두께 분포를 얻을 수 있음을 확인하였고 이는 수지의 흐름성이 증가함으로써 나타나는 현상으로 해석할 수 있다.

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