Page 421 - Adsorbents fundamentals and applications

406 SUBJECT INDEX

Dispersion of metals on supports, Horvath-Kawazoe (HK) model for pore size
237, 238 distribution, 14, 55–74
D-orbital metals, 191, 192, 212 Cheng-Yang correction (HK-CY model), 56,
used as π-complexation sorbents, 59, 60, 71–74
191, 192 correction by Rege and Yang, 60–74
Dubinin-Astakhov (D-A) equation, 21 for slit shaped pore, 57–59, 60
Dubinin-Radushkevich (D-R) equation for Rege-Yang correction for cylindrical pores,
mixtures, 21 68
Dubinin-Radushkevich (D-R) equation, 20, 21, Rege-Yang correction for slit pores, 60
75 Rege-Yang correction for spherical pores, 74
Hydrodesulfurization, 345, 346, 349
thiophene capacities for, 351
Effective core potentials (ECP), 205
Hydrogel, 134
Electric field gradient, 10
Hydrogen adsorption, on activated carbon, 311
Electron correlation, 203
isotherms on activated carbons, 324
Electronic charge, 11
on super-activated carbon, 311
Electronic structure methods, 202
Hydrogen bonding, 135, 138, 143
Electrostatic interactions, 10, 11
Hydrogen purification, 303–305
Epitaxy in carbon nanotube growth,
235–237 by PSA, 303–305
using layered beds, 304, 305
Equilibrium separation, 2, 3
Ethane/ethylene separation (see olefin/paraffin Hydrogen storage in carbon nanotubes,
separations) 312–321
ETS-4 (also see titanosilicate), 169 Monte Carlo simulations of, 316
collapsing temperature of, 342 Hydrogen storage in multi-wall carbon
for N 2 /CH 4 separation, 169, 342–345 nanotubes, 319–321
Sr-ETS-4, 342–345 role of catalysts, 319–321
structure of, 342 Hydrogen storage, 305–321
synthesis of, 169 DOE target for, 308
water adsorption on, 343 H 2 dissociation/spillover mechanism,
316–321
in charged nanotubes, 316
Fickian diffusivities, 26
mechanism of. 319–321
Freundlich isotherm, 19
molecular orbital calculations,
Fullerenes, 241, 242
316–318
molecular orbital calculations of H 2 in
Gasoline desulfurization (see desulfurization of nanotubes, 316
transportation fuels) Monte Carlo simulations of storage on
Gaussian, 204, 205–207 nanotubes, 316
Gaussian primitives (G), 205 on activated carbon, 310, 311
Gaussian molecular simulation, 173 on alkali-doped carbon nanotubes, 315
Geometry optimization, 209 on graphite nanofibers, 313–315
of Ag-zeolite cluster model, 209, 211 on single-wall carbon nanotubes,
Gibbs surface excess, 92 312–314
Graphite nanofibers (GNF), 240
for hydrogen storage, 313–315
Ideal adsorbed solution (IAS) theory, 22
functionalities on, 314
similarities with extended-Langmuir and
platelets in, 314
potential-theory isotherms, 22
Incipient wetness impregnation, 193, 195,
Hartree-Fock (HF) method, 203, 204, 207, 196
212 with dispersant, 195
Heat of adsorption, 10 Induction interaction, 9
Heteropoly compounds, 346, 364–366 Integral — equation approach to pore size
H-graphite bond energies, 317, 318 distribution, 74–76
Higashi model for surface diffusion, 23 density functional theory techniques, 76