Environmental Engineering Reference
In-Depth Information
1.1 INTRODUCTION
This chapter is focused on the pore size controlling in carbon-based nano adsor-
bent to apply simulation and modeling methods and describe the recent activities
about it. Significant progress has been made in this process throughout the recent
years, essential emphasis is put on the controlling and applications of both micro
and mesoporosity carbons. Many novel methods are proposed such as catalytic
activation, polymer blend, organic gel and template carbonization for the control
of mesopores, and analyzing micropore distribution in activated carbons assum-
ing an array of semi-infinite, rigid slits of distributed width whose walls are mod-
eled as energetically uniform graphite. Various kinds of pores in solid materials
are classified according to the origin of the pores and the structural factors of
the pores are discussed as well as the methods for evaluation of the pore size
distribution with molecular adsorption (molecular resolution porosimetry), small
angle X-ray scattering, mercury porosimetry, nuclear magnetic resonance, and
thermoporosirmetry. The main aim in the controlling of micropores is to produce
molecular sieving carbon (MSC), which applied in special membranes or produce
some carbon composites which remove special contaminate from aqueous envi-
ronments as adsorbent or EDLCs in electrochemical application or aerogel carbon
structures. Despite difference in particle size, the adsorption properties of activat-
ed carbon and carbon-based nano adsorbents (ACF-ACNF-CNF-CNT and CNT-
Composites) are basically the same because the characteristics of activated carbon
(pore size distribution, internal surface area and surface chemistry) controlling
the equilibrium aspects of adsorption are independent of particle. The excellently
regular structures of CNTs and its composites facilitate accurate simulation of
CNT behavior by applying a variety of mathematical and numerical methods.
The most important of this models include: Algorithms and simulation, such as
Grand Canonical Monte Carlo (GCMC) simulation, Car-Parrinello molecular dy-
namics (CPMD), molecular dynamics simulation (MDS), LJ potential, DFT, HK,
IHK, BJH, DA, DRS and BET Methods, ASA, Verlet and SHN algorithm and etc.
Briefly, (in my PhD case study) this following research work include:
• Preparing web of CNT-Textile composite (carbon section in an appropriate
furnace and other section by electros pining along CNT added in spinning
dopp).
• Stabilization process performing in adequate temperatures in an appropri-
ate furnace.
• Carbonizationprocess performing in adequate temperatures in an appropri-
ate furnace.
• Activation process performing in adequate temperatures in an appropriate
furnace.
• Adsorption isotherms and characterizing of this composite will be deter-
mined and fitted.
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