• 제목/요약/키워드: Chemical Reaction Network

검색결과 76건 처리시간 0.027초

Effect of Reaction Conditions on the Preparation of Nano-sized Ni Powders inside a Nonionic Polymer

  • Kim, Tea-Wan;Kim, Dong-Hyun;Park, Hong-Chae;Yoon, Seog-Young
    • 한국분말야금학회:학술대회논문집
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    • 한국분말야금학회 2006년도 Extended Abstracts of 2006 POWDER METALLURGY World Congress Part 1
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    • pp.462-463
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    • 2006
  • Monodispersed and nano-sized Ni powders were synthesized from aqueous nickel sulfate hexahydrate $(NiSO_4{\cdot}6H_2O)$ inside nonionic polymer network by using wet chemical reduction process. The sucrose was used as a nonionic polymer network source. The effect of reaction conditions such as the amount of sucrose and a various reaction temperature, nickel sulfate hexahydrate molarity. The influence of a nonionic polymer network on the particle size of the prepared Ni powders was characterized by means of X-ray diffraction (XRD), scanning electron microscopy (SEM), and particle size analysis (PSA). The results showed that the obtained Ni powders were strong by dependent of the reaction conditions. In particular, the Ni powders prepared inside a nonionic polymer network had smooth spherical shape and narrow particle size distribution.

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Multi-step Reactions on Microchip Platform Using Nitrocellulose Membrane Reactor

  • Park, Sung-Soo;Joo, Hwang-Soo;Cho, Seung-Il;Kim, Min-Su;Kim, Yong-Kweon;Kim, Byung-Gee
    • Biotechnology and Bioprocess Engineering:BBE
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    • 제8권4호
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    • pp.257-262
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    • 2003
  • A straightforward and effective method is presented for immobilizing enzymes on a microchip platform without chemically modifying a micro-channel or technically microfabricating a column reactor and fluid channel network. The proposed method consists of three steps: the reconstitution of a nitrocellulose (NC) membrane on a plane substrate without a channel network, enzyme immobilization on the NC membrane, and the assembly of another substrate with a fabricated channel network. As a result, enzymes can be stably and efficiently immobilized on a microchip. To evaluate the proposed method, two kinds of enzymatic reaction are applied: a sequential two-step reaction by one enzyme, alkaline phosphatase, and a coupled reaction by two enzymes, glucose oxidase and peroxidase, for a glucose assay.

Modeling and Simulation of the Photocatalytic Treatment of Wastewater using Natural Bauxite and TiO2 doped by Quantum Dots

  • Becheikh, Nidhal;Eladeb, Aboulbaba;Ghazouani, Nejib
    • International Journal of Computer Science & Network Security
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    • 제22권6호
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    • pp.91-96
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    • 2022
  • The photocatalytic degradation of salicylic acid takes place in several stages involving coupled phenomena, such as the transport of molecules and the chemical reaction. The systems of transport equations and the photocatalytic reaction are numerically solved using COMSOL Mutiphysics (CM) simulation software. CM will make it possible to couple the phenomena of flow, the transport of pollutants (salicylic acid) by convection and diffusion, and the chemical reaction to the catalytic area (bauxite or TiO2 doped by nanoparticles). The simulation of the conversion rate allows to correctly fit the experimental results. The temporal simulation shows that the reaction reaches equilibrium after a transitional stage lasting over one minute. The outcomes of the study highlight the importance of diffusion in the boundary layer and the usefulness of injecting micro-agitation into the microchannel flow. Under such conditions, salicylic acid degrades completely.

A GRAPHICAL ALGORITHM FOR CALCULATING THE RANKS OF COMPLEX REACTION NETWORKS

  • Choo, S.M.;Lee, N.Y.
    • Journal of applied mathematics & informatics
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    • 제30권5_6호
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    • pp.787-792
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    • 2012
  • We present a graphical algorithm and theorems for calculating the ranks of reaction networks. The ranks are needed to study behaviors of the networks from their structures. This approach can graphically simplify complex networks for the calculation. We show an example of a large network for the practical advantage.

Dynamic percolation grid Monte Carlo simulation

  • Altmann Nara;Halley Peter J.;Nicholson Timothy M.
    • Korea-Australia Rheology Journal
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    • 제19권1호
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    • pp.7-16
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    • 2007
  • A dynamic Monte Carlo percolation grid simulation is used to predict the cure behaviour of thermoset materials. Molecules are distributed in a fixed grid and a probability of reaction is assigned to each pair of neighbouring units considering both reaction rates and diffusion. The concentration and network characteristics are predicted throughout the whole curing process and compared to experimental data for an epoxy-amine matrix.

Linear and Hyperbranched Polymers via Electrophilic Substitution Reaction in Polyphosphoric $Acid/P_{2}O_{5}$

  • Choi, Ja-Young;Jeon, In-Yeop;Tan, Loon-Seng;Baek, Jong-Beom
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.195-195
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    • 2006
  • A superior electrophilic substitution reaction medium that is non-toxic, relatively less corrosive, and non-volatile electrophilic substitution reaction to afford high molecular weight linear and hyperbranched polyetherketones (PEK' s) was developed. The system has very strong driving force to give extra ordinary high molecular weight linear and hyperbranched PEK' s. The reaction medium was further extended to prepare various types of copolymers and covalently grafted polymers onto carbon nanotube (CNT) or carbon nanofiber (CNF). By using characteristic hydrophilic nature of the reaction medium, hyperbranched PEK' s could be synthesized from commercially available $A_3\;+\;B_2$ monomers without network formation via selective solubility of the monomers.

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Structural and Spectral Characterization of a Chromium(III) Picolinate Complex: Introducing a New Redox Reaction

  • Hakimi, Mohammad
    • 대한화학회지
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    • 제57권6호
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    • pp.721-725
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    • 2013
  • Reaction between 2-pyridinecarboxylic acid (Hpic) and $K_3[Cr(O_2)_4]$ give complex $[Cr(pic)_3].H_2O$ (1) which is characterized by elemental analysis and spectroscopic methods (FT-IR, Raman) and X-ray crystallography. In the crystal structure of 1, chromium atom with coordinated by three nitrogen and three oxygen atoms has a distorted octahedral geometry. Also a water molecule is incorporated in crystal network. Each water molecule acts as hydrogen bond bridging and connects two adjacent complexes by two $O-H{\cdots}O$ hydrogen bonds.

Construction of Comprehensive Metabolic Network for Glycolysis with Regulation Mechanisms and Effectors

  • JIN, JONG-HWA;JUNG, UI-SUB;JAE, WOOK-NAM;IN, YONG-HO;LEE, SANG-YUP;LEE, DOHE-ON;LEE, JIN-WON
    • Journal of Microbiology and Biotechnology
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    • 제15권1호
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    • pp.161-174
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    • 2005
  • Abstract Glycolysis has a main function to provide ATP and precursor metabolites for biomass production. Although glycolysis is one of the most important pathways in cellular metabolism, the details of its regulation mechanism and regulating chemicals are not well known yet. The regulation of the glycolytic pathway is very robust to allow for large fluxes at almost constant metabolite levels in spite of changing environmental conditions and many reaction effectors like inhibitors, activating compounds, cofactors, and related metal ions. These changing environmental conditions and metabolic reaction effectors were focused on to understand their roles in the metabolic networks. In this study, we have investigated for construction of the regulatory map of the glycolytic metabolic network and tried to collect all the effectors as much as possible which might affect the glycolysis metabolic pathway. Using the results of this study, it is expected that a complex metabolic situation can be more precisely analyzed and simulated by using available programs and appropriate kinetic data.

Prediction of Solvent Effects on Rate Constant of [2+2] Cycloaddition Reaction of Diethyl Azodicarboxylate with Ethyl Vinyl Ether Using Artificial Neural Networks

  • Habibi-Yangjeh, Aziz;Nooshyar, Mahdi
    • Bulletin of the Korean Chemical Society
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    • 제26권1호
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    • pp.139-145
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    • 2005
  • Artificial neural networks (ANNs), for a first time, were successfully developed for the modeling and prediction of solvent effects on rate constant of [2+2] cycloaddition reaction of diethyl azodicarboxylate with ethyl vinyl ether in various solvents with diverse chemical structures using quantitative structure-activity relationship. The most positive charge of hydrogen atom (q$^+$), dipole moment ($\mu$), the Hildebrand solubility parameter (${\delta}_H^2$) and total charges in molecule (q$_t$) are inputs and output of ANN is log k$_2$ . For evaluation of the predictive power of the generated ANN, the optimized network with 68 various solvents as training set was used to predict log k$_2$ of the reaction in 16 solvents in the prediction set. The results obtained using ANN was compared with the experimental values as well as with those obtained using multi-parameter linear regression (MLR) model and showed superiority of the ANN model over the regression model. Mean square error (MSE) of 0.0806 for the prediction set by MLR model should be compared with the value of 0.0275 for ANN model. These improvements are due to the fact that the reaction rate constant shows non-linear correlations with the descriptors.

MCRO-ECP: Mutation Chemical Reaction Optimization based Energy Efficient Clustering Protocol for Wireless Sensor Networks

  • Daniel, Ravuri;Rao, Kuda Nageswara
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • 제13권7호
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    • pp.3494-3510
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    • 2019
  • Wireless sensor networks encounter energy saving as a major issue as the sensor nodes having no rechargeable batteries and also the resources are limited. Clustering of sensors play a pivotal role in energy saving of the deployed sensor nodes. However, in the cluster based wireless sensor network, the cluster heads tend to consume more energy for additional functions such as reception of data, aggregation and transmission of the received data to the base station. So, careful selection of cluster head and formation of cluster plays vital role in energy conservation and enhancement of lifetime of the wireless sensor networks. This study proposes a new mutation chemical reaction optimization (MCRO) which is an algorithm based energy efficient clustering protocol termed as MCRO-ECP, for wireless sensor networks. The proposed protocol is extensively developed with effective methods such as potential energy function and molecular structure encoding for cluster head selection and cluster formation. While developing potential functions for energy conservation, the following parameters are taken into account: neighbor node distance, base station distance, ratio of energy, intra-cluster distance, and CH node degree to make the MCRO-ECP protocol to be potential energy conserver. The proposed protocol is studied extensively and tested elaborately on NS2.35 Simulator under various senarios like varying the number of sensor nodes and CHs. A comparative study between the simulation results derived from the proposed MCRO-ECP protocol and the results of the already existing protocol, shows that MCRO-ECP protocol produces significantly better results in energy conservation, increase network life time, packets received by the BS and the convergence rate.