Title page for etd-0721117-145804


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URN etd-0721117-145804
Author Siou-mei Huang
Author's Email Address No Public.
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Department Mechanical and Electro-Mechanical Engineering
Year 2016
Semester 2
Degree Master
Type of Document
Language zh-TW.Big5 Chinese
Title Predictions on Structural and Mechanical Behaviors of Activated Carbon by Molecular Mechanics
Date of Defense 2017-07-28
Page Count 85
Keyword
  • mechanical property
  • activated carbon
  • tfMC
  • compression simulation
  • ensile simulation
  • molecular mechanics
  • Abstract Combining the time-stamped force-bias Monte Carlo and simulated-annealing methods, a structural prediction procedure for activated carbon (AC) and bead shape activated carbon (BAC) of different densities and quench rates were constructed. AC models were constructed, corresponding to densities of 0.5, 0.7, and 1.3 g/cm3 and BAC models were constructed, corresponding to densities of 0.7, 0.9, and 1.1 g/cm3. The quench rates were 5 K per 30 tfMC steps and 5 K per 6,000 tfMC steps, respectively. The structural properties of these models were examined, including porosity, specific surface area and pore distribution. In addition, the tensile and compress simulations were systematically applied to those AC and BAC models. In tensile simulation, the Young's modulus and the fracture of microstructures were also investigated. The specific surface area and Young's modulus are proportional to the density of AC, but the porosity and the main distribution of pore size are inversely related. The probability distribution of the ring size shows that six-atom rings translate to four- and five- atom ring during tensile simulation. The local shear strain analysis indicates that the fractures appear adjacent to the edge of the carbon wall frame in AC and will expand vertically along the tensile axis. In compress simulation, it found that in the low density and fast quench rate of BAC, there has sufficient space to relax the stress during the the compression and exhibit wide range of strain in relax region. This study not only constructs a structural prediction procedure of AC and BAC but also provides several detailed information of internal structure and mechanical property. The results can provide useful information on the development of functional activated carbon in the future.
    Advisory Committee
  • Chuan Chen - chair
  • Shih-Jye Sun - co-chair
  • Chia-Lin Chang - co-chair
  • Jian-Ming Lu - co-chair
  • Shin-Pon Ju - advisor
  • Files
  • etd-0721117-145804.pdf
  • Indicate in-campus at 0 year and off-campus access at 3 year.
    Date of Submission 2017-08-21

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