@article {4885,
	title = {Prediction of the thermal conductivity of gases based on the Rainwater-Friend theory and a new corresponding states function},
	journal = {Physica a-Statistical Mechanics and Its Applications},
	volume = {275},
	number = {1-2},
	year = {2000},
	note = {ISI Document Delivery No.: 270GXTimes Cited: 14Cited Reference Count: 52},
	month = {Jan},
	pages = {48-69},
	type = {Article},
	abstract = {The Rainwater-Friend theory is used for the evaluation of the initial density dependence of the thermal conductivity of the noble gases using accurate realistic potentials. This theory, which was originally developed for spherically symmetric potentials, is adapted for the calculation of the initial density dependence of the translational contribution of the thermal conductivity of polyatomic gases. The internal state contribution is evaluated using a combination of Mason-Monchick theory and hard-sphere Enskog theory. At high density, beyond the range of the Rainwater-Friend theory, a deviation thermal conductivity function has been presented. With the help of this function, an easily usable corresponding-states function for the calculation of the thermal conductivity of supercritical gases has been developed, which is valid over a wide temperature range and for pressures up to 400 MPa. (C) 2000 Elsevier Science B.V. All rights reserved.},
	keywords = {ARGON, CARBON-DIOXIDE, high-pressure thermal conductivity, INITIAL DENSITY-DEPENDENCE, NOBLE-GASES, PHYSICAL-PROPERTIES, POLYATOMIC GASES, POTENTIAL-ENERGY CURVE, Rainwater-Friend theory, second, TEMPERATURE, thermal conductivity, thermal conductivity virial coefficient, TRANSPORT-PROPERTIES, ZERO DENSITY},
	isbn = {0378-4371},
	url = {<Go to ISI>://000084528200005},
	author = {Najafi, B. and Araghi, R. and Rainwater, J. C. and Alavi, S. and Snider, R. F.}
}
@article {4813,
	title = {Solid-state NMR and X-ray diffraction structural investigations of the p-nitroaniline/ZSM-5 complex},
	journal = {Microporous and Mesoporous Materials},
	volume = {39},
	number = {1-2},
	year = {2000},
	note = {ISI Document Delivery No.: 354ZKTimes Cited: 15Cited Reference Count: 19},
	month = {Sep},
	pages = {291-305},
	type = {Article},
	abstract = {The complex of zeolite ZSM-5 loaded with p-nitroaniline to four molecules per unit cell is of current interest as a potential non-linear optical material. A previous single crystal X-ray diffraction (XRD) investigation has claimed that the p-nitroaniline molecules line up as oriented dipole chains inside the channels of ZSM-5, and it was concluded that this ordering explains how second harmonic generation arises. In another XRD study, it was not possible to distinguish between order and disorder of the p-nitroaniline molecules. The present results from solid-state NMR and single crystal XRD experiments indicate that the p-nitroaniline molecules are disordered in the ZSM-5 channels, i.e., they do not form ordered dipole chains throughout the entire crystal. The quantitative Si-29-MAS spectrum at room temperature shows 48 peaks of equal intensity indicating disorder of the guest molecules, and the N-15-MAS spectrum at 180 K of the N-15-labeled p-nitroaniline in ZSM-5 shows a splitting of the NO2 resonance, which also implies disorder. The single crystal XRD results show that the p-nitroaniline molecules are disordered over four-sites at the channel intersection even when refined in the less symmetric Pn2(l)a space group. The final structure was refined in the orthorhombic Pnma space group to R = 0.0465. The nature of this disorder is discussed. In particular, the possibilities of disorder arising from the average of polar domains or local disorder are examined in the light of the solid-state NMR results. That the p-nitroaniline molecules are disordered in ZSM-5 implies that the mechanism by which second harmonic generation arises may be more complex than is presently assumed. (C) 2000 Elsevier Science B.V. All rights reserved.},
	keywords = {CRYSTAL STRUCTURE-ANALYSIS, DICHLOROBENZENE, harmonic generation, LOCATION, MFI, MOLECULAR-SIEVE, p-nitroaniline, second, SINGLE-CRYSTAL, SOLID-STATE NMR, x-ray diffraction, ZEOLITE H-ZSM-5, ZSM-5},
	isbn = {1387-1811},
	url = {<Go to ISI>://000089361000029},
	author = {Fyfe, C. A. and Brouwer, D. H.}
}
