• Title/Summary/Keyword: reaction-diffusion modeling

Search Result 41, Processing Time 0.021 seconds

Mass Transfer Phenomena in Polycondensation Reaction of Poly(ethylene naphthalate) (폴리(에틸렌 나프탈레이트)의 축중합 반응에서 물질 전달 현상)

  • 이성진;정성일
    • Polymer(Korea)
    • /
    • v.28 no.2
    • /
    • pp.121-127
    • /
    • 2004
  • The instantaneous removal of ethylene glycol is very important fur obtaining high molecular weight polymer because of the reversibility of the polycondensation reaction of poly(ethylene naphthalate)(PEN). In this study, we investigated the mass transfer phenomena in the thin film of PEN oligomer where the polycondensation reaction took place at 280$^{\circ}C$ and under 0.1mmHg. In case of less than 0.025cm film thickness the mass transfer resistance through the thin film of the polymer melt was not so high that the overall reaction rate was governed only by the polycondenstion reaction. Both the mass transfer model and the diffusion model predicted the experimenatal data well but the diffusion model showed faster reaction rate in the low molecular weight range than the mass transfer model . It was estimated from the two models that the diffusivity was 4.7${\times}$10$\^$-6/$\textrm{cm}^2$/sec and the mass transfer coefficient was 1.4 ${\times}$10$\^$-4/cm/sec both of which were smaller than In case of poly(ethylene terephthalate).

Geometric and mechanical properties evaluation of scaffolds for bone tissue applications designing by a reaction-diffusion models and manufactured with a material jetting system

  • Velasco, Marco A.;Lancheros, Yadira;Garzon-Alvarado, Diego A.
    • Journal of Computational Design and Engineering
    • /
    • v.3 no.4
    • /
    • pp.385-397
    • /
    • 2016
  • Scaffolds are essential in bone tissue engineering, as they provide support to cells and growth factors necessary to regenerate tissue. In addition, they meet the mechanical function of the bone while it regenerates. Currently, the multiple methods for designing and manufacturing scaffolds are based on regular structures from a unit cell that repeats in a given domain. However, these methods do not resemble the actual structure of the trabecular bone which may work against osseous tissue regeneration. To explore the design of porous structures with similar mechanical properties to native bone, a geometric generation scheme from a reaction-diffusion model and its manufacturing via a material jetting system is proposed. This article presents the methodology used, the geometric characteristics and the modulus of elasticity of the scaffolds designed and manufactured. The method proposed shows its potential to generate structures that allow to control the basic scaffold properties for bone tissue engineering such as the width of the channels and porosity. The mechanical properties of our scaffolds are similar to trabecular tissue present in vertebrae and tibia bones. Tests on the manufactured scaffolds show that it is necessary to consider the orientation of the object relative to the printing system because the channel geometry, mechanical properties and roughness are heavily influenced by the position of the surface analyzed with respect to the printing axis. A possible line for future work may be the establishment of a set of guidelines to consider the effects of manufacturing processes in designing stages.

Computational Study of Intermetallic Reaction Propagation in Nanoscale Boron/Titanium Metallic Multilayers (보론/티타늄 나노박막다층 내 이종금속간 화학반응 전파특성 해석연구)

  • Kim, Kyoungjin;Park, Joong-Youn
    • Journal of the Korean Society of Propulsion Engineers
    • /
    • v.21 no.3
    • /
    • pp.10-17
    • /
    • 2017
  • The analytical modeling has been established on the self-propagation of intermetallic reaction in the spanwise direction of highly reactive boron and titanium nanoscale multilayers. Assuming that the reaction obeys Arrhenius kinetics, two-dimensional computations are carried out for heat and atomic species diffusion with exothermic reaction model in order to simulate the self-propagation of intermetallic reaction. The effects of bimetallic layer thickness and thickness ratio on the reaction propagation speed are tested and discussed in addition to the assessment of pre-mixing zone effects.

Simplified Carbonation Model Considering Ca(OH)2 Solubility and Porosity Reduction (수산화칼슘 용해도와 공극률 감소를 고려한 간략화 된 탄산화 모델)

  • Lee, Yun;Kwon, Seung-Jun;Park, Ki-Tae
    • Journal of the Korea institute for structural maintenance and inspection
    • /
    • v.19 no.1
    • /
    • pp.128-138
    • /
    • 2015
  • Carbonation is one of the most critical deterioration phenomena to concrete structures exposed to high $CO_2$ concentration, sheltered from rain. Lots of researches have been performed on evaluation of carbonation depth and changes in hydrate compositions, however carbonation modeling is limitedly carried out due to complicated carbonic reaction and diffusion coefficient. This study presents a simplified carbonation model considering diffusion coefficient, solubility of $Ca(OH)_2$, porosity reduction, and carbonic reaction rate for low concentration. For verification, accelerated carbonation test with varying temperature and MIP (Mercury Intrusion Porosimetry) test are carried out, and carbonation depths are compared with those from the previous and the proposed model. Field data with low $CO_2$ concentration is compared with those from the proposed model. The proposed model shows very reasonable results like carbonation depth and consuming $Ca(OH)_2$ through reduced diffusion coefficient and porosity compared with the previous model.

Numerical Study on Normal Propagation Bimetallic Reaction Wave in Al/Ni Nano-Multilayers (알루미늄/니켈 나노박막다층 내 수직방향 이종금속 반응파 전파 해석연구)

  • Kim, Kyoungjin
    • Journal of the Korean Society of Propulsion Engineers
    • /
    • v.26 no.1
    • /
    • pp.20-27
    • /
    • 2022
  • Present modeling study of nanoenergetics focuses on the numerical simulation of reaction wave propagation in normal direction across nanoscale multilayers of aluminum and nickel combination. The governing equations for atomic and thermal diffusion are employed in one-dimensional semi-infinitely alternating Al/Ni multilayered structures and the numerical results show the established patterns of quasi-steady intermetallic reaction waves. Also, the reaction wave speed is confirmed to be highly independent of reaction wave directions in such nanoenergetic structures.

The digital patterning of optical phenomena in natural gemstones and, the design deployment of interior modeling for wall molding (천연 보석의 광학 현상적 digital patterning과 벽면 조형을 위한 interior modeling으로의 design 전개)

  • Kim, Eun-Ju
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.22 no.1
    • /
    • pp.42-50
    • /
    • 2012
  • Light color reaction, immersion and diffusion operation through the mural art can be expressed in a variety of image types. In this paper, the digital pattern for mural art was formed by observation of the optical phenomena in natural gems and the relation between the optical sparkle in gems and minerals and pattern design was characterized. New possibility with relevance for design work based on ultramarine with a beautiful sheen and spectrum of the coloring was used for Sustainable 3D simulation modeling and represented by high-resolution Image graphic design.

Numerical study of ITZ contribution on diffusion of chloride and induced rebar corrosion: A discussion of three-dimensional multiscale approach

  • Tu, Xi;Pang, Cunjun;Zhou, Xuhong;Chen, Airong
    • Computers and Concrete
    • /
    • v.23 no.1
    • /
    • pp.69-80
    • /
    • 2019
  • Modeling approach for mesoscopic model of concrete depicting mass transportation and physicochemical reaction is important since there is growing demand for accuracy and computational efficiency of numerical simulation. Mesoscopic numerical simulation considering binder, aggregate and Interfacial Transition Zone (ITZ) generally produces huge number of DOFs, which is inapplicable for full structure. In this paper, a three-dimensional multiscale approach describing three-phase structure of concrete was discussed numerically. An effective approach generating random aggregate in polygon based on checking centroid distance was introduced. Moreover, ITZ elements were built by parallel expanding the surface of aggregates on inner side. By combining mesoscopic model including full-graded aggregate and macroscopic model, cases related to diffusivity and thickness of ITZ, volume fraction and grade of aggregate were studied regarding the consideration of multiscale compensation. Results clearly showed that larger analysis model in multiscale model expanded the diffusion space of chloride ion and decreased chloride content in front of rebar. Finally, this paper addressed some worth-noting conclusions about the chloride distribution and rebar corrosion regarding the configuration of, rebar diameter, concrete cover and exposure period.

Combustion Modeling for Stratified Charge (성층화 혼합기의 연소 모델링)

  • 김용태;배상수;민경덕
    • Transactions of the Korean Society of Automotive Engineers
    • /
    • v.9 no.4
    • /
    • pp.50-55
    • /
    • 2001
  • To simulate the combustion process under stratified charged conditions, like GDI engines, the new combustion model is proposed, which is based on Welter's FAE model and Peters' PDF model for considering primary reactions. In addition to these models, the new laminar burning velocity correlation and diffusion flame model are also included in the proposed model. The former can be applicable to much wider range of equivalence ratio, pressure and temperature than the others, such as Keck's and Guilder's models, and the latter has been derived from water-gas shift reaction and hydrogen oxidation, by which the secondary reactions can be considered after primary reactions. 3-D computation has been performed by using STAR-CD v3.05 in the simple cylindrical geometry under stratified charged condition. Judging from the calculated results, the present model proves to be reasonable to simulate the characteristics of flame propagation and concentrations of products in burned regions.

  • PDF

Modeling of Partially Premixed Turbulent Combustion by Zone-Conditioned Conditional Moment Closure (Zone-conditioned CMC 모델을 이용한 부분예혼합 난류연소 모델링)

  • Lee, Eun-Ju;Kim, Seung H.;Huh, Kang Y.
    • 한국연소학회:학술대회논문집
    • /
    • 2002.06a
    • /
    • pp.41-45
    • /
    • 2002
  • The zone-conditioned CMC equations are derived by taking an unconditional average of the generic conservation equations multiplied by delta and Heaviside functions in terms of mixture fraction and reaction progress variable. The resulting equations are essentially in the same form as the single zone CMC equations except for separate flow fields for burned and unburned gas. The zone-conditioned two-fluid equations are applied to a stagnating turbulent premixed flame brush of Cheng and Shepherd[5l. It is shown that the flame stretch factor is of crucial importance to accurately reproduce the measured mean reaction progress variable and conditional velocities. Further work is in progress for the relationship between surface and volume averages and extension to partially premixed combustion on the basis of a triple flame structure, e. g. in a lifted turbulent diffusion flame.

  • PDF

Numerical Modeling of Physical Property and Electrochemical Reaction for Solid Oxide Fuel Cells (고체 산화물 연료전지를 위한 물성치 및 전기화학반응의 수치해석 모델링)

  • Park, Joon-Guen;Kim, Sun-Young;Bae, Joong-Myeon
    • Transactions of the Korean Society of Mechanical Engineers B
    • /
    • v.34 no.2
    • /
    • pp.157-163
    • /
    • 2010
  • Solid oxide fuel cells (SOFCs) are commonly composed of ceramic compartments, and it is known that the physical properties of the ceramic materials can be changed according to the operating temperature. Thus, the physical properties of the ceramic materials have to be properly predicted to develop a highly reliable simulation model. In this study, several physical properties that can affect the performance of SOFCs were selected, and simulation models for those physical properties were developed using our own code. The Gibbs free energy for the open circuit voltage, exchange current densities for the activation polarization, and electrical conductivity for the electrolyte were calculated. In addition, the diffusion coefficient-including the binary and Knudsen diffusion mechanisms-was calculated for mass transport analysis at the porous electrode. The physical property and electrochemical reaction models were then simulated simultaneously. The numerical results were compared with the experimental results and previous works studied by Chan et al. for code validation.