Temperature effects in capillary electrophoresis 2: Some theoretical calculations and predictions

1994 ◽  
Vol 38 (3-4) ◽  
pp. 215-221 ◽  
Author(s):  
J. H. Knox ◽  
K. A. McCormack
Keyword(s):  
Capillary Electrophoresis ◽  
Temperature Effects ◽  
Theoretical Calculations

Mass Spectrometry as a Tool for the Determination of Heats of Tautomerization of Thioamides in the Gas Phase

2005 ◽  
Vol 11 (1) ◽  
pp. 53-63 ◽  
Author(s):  
P.E. Allegretti ◽  
C.B. Milazzo ◽  
J.J.P. Furlong
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Electron Energy ◽  
Temperature Effects ◽  
Mass Spectra ◽  
Theoretical Calculations ◽  
Neutral Species ◽  
Empirical Results ◽  
Semi Empirical

Tautomerism of several thioamides was studied by mass spectrometry. The analysis of the corresponding mass spectra allowed some fragmentations to be assigned to specific tautomers and heats of tautomerization to be determined through temperature effects and electron energy studies. Experimental determinations were strongly supported by theoretical calculations. AM1 semi-empirical results indicate that the thioamide–thioimidol equilibrium can be studied by mass spectrometry. Also, additional evidence was obtained regarding tautomerism occurrence between neutral species.

XUV Absorption Spectra of Carbon Ions

1988 ◽  
Vol 102 ◽  
pp. 71-73
Author(s):  
E. Jannitti ◽  
P. Nicolosi ◽  
G. Tondello
Keyword(s):  
Absorption Spectra ◽  
Cross Section ◽  
Theoretical Calculations ◽  
Photoionization Cross Section ◽  
Carbon Ions

AbstractThe photoabsorption spectra of the carbon ions have been obtained by using two laser-produced plasmas. The photoionization cross-section of the CV has been absolutely measured and the value at threshold, σ=(4.7±0.5) × 10−19cm2, as well as its behaviour at higher energies agrees quite well with the theoretical calculations.

Relative Intensities in ED Patterns From Thin Gold Films

1972 ◽  
Vol 30 ◽  
pp. 636-637
Author(s):  
R. H. Morriss ◽  
J. D. C. Peng ◽  
C. D. Melvin
Keyword(s):  
Theoretical Calculations ◽  
Diffraction Theory ◽  
Gold Films ◽  
Reasonable Accuracy ◽  
Experimental Conditions ◽  
Crystal Perfection ◽  
Heavy Atoms ◽  
Fine Focus ◽  
Convergent Beam ◽  
Beam Diffraction

Although dynamical diffraction theory was modified for electrons by Bethe in 1928, relatively few calculations have been carried out because of computational difficulties. Even fewer attempts have been made to correlate experimental data with theoretical calculations. The experimental conditions are indeed stringent - not only is a knowledge of crystal perfection, morphology, and orientation necessary, but other factors such as specimen contamination are important and must be carefully controlled. The experimental method of fine-focus convergent-beam electron diffraction has been successfully applied by Goodman and Lehmpfuhl to single crystals of MgO containing light atoms and more recently by Lynch to single crystalline (111) gold films which contain heavy atoms. In both experiments intensity distributions were calculated using the multislice method of n-beam diffraction theory. In order to obtain reasonable accuracy Lynch found it necessary to include 139 beams in the calculations for gold with all but 43 corresponding to beams out of the [111] zone.

Characterization of carbides in M50NiL

1991 ◽  
Vol 49 ◽  
pp. 606-607
Author(s):  
L. S. Lin ◽  
K. P. Gumz ◽  
A. V. Karg ◽  
C. C. Law
Keyword(s):  
Temperature Effects ◽  
Base Composition ◽  
Lattice Parameter ◽  
Control Surface ◽  
Carbide Formation ◽  
Particle Sizes ◽  
Low Carbon ◽  
Fee Structure ◽  
Heat Treated

Carbon and temperature effects on carbide formation in the carburized zone of M50NiL are of great importance because they can be used to control surface properties of bearings. A series of homogeneous alloys (with M50NiL as base composition) containing various levels of carbon in the range of 0.15% to 1.5% (in wt.%) and heat treated at temperatures between 650°C to 1100°C were selected for characterizations. Eleven samples were chosen for carbide characterization and chemical analysis and their identifications are listed in Table 1.Five different carbides consisting of M6C, M2C, M7C3 and M23C6 were found in all eleven samples examined as shown in Table 1. M6C carbides (with least carbon) were found to be the major carbide in low carbon alloys (<0.3% C) and their amounts decreased as the carbon content increased. In sample C (0.3% C), most particles (95%) encountered were M6C carbide with a particle sizes range between 0.05 to 0.25 um. The M6C carbide are enriched in both Mo and Fe and have a fee structure with lattice parameter a=1.105 nm (Figure 1).

Effects of Higher-Order Laue Zone reflections on structure images

1993 ◽  
Vol 51 ◽  
pp. 450-451
Author(s):  
H. S. Kim ◽  
S. S. Sheinin
Keyword(s):  
Wave Vector ◽  
Theoretical Calculations ◽  
Reciprocal Lattice ◽  
Image Plane ◽  
Bloch Wave ◽  
Dynamical Theory ◽  
Higher Order ◽  
Lattice Image ◽  
Lattice Vector ◽  
Image Position

The importance of image simulation in interpreting experimental lattice images is well established. Normally, in carrying out the required theoretical calculations, only zero order Laue zone reflections are taken into account. In this paper we assess the conditions for which this procedure is valid and indicate circumstances in which higher order Laue zone reflections may be important. Our work is based on an analysis of the requirements for obtaining structure images i.e. images directly related to the projected potential. In the considerations to follow, the Bloch wave formulation of the dynamical theory has been used.The intensity in a lattice image can be obtained from the total wave function at the image plane is given by: where ϕg(z) is the diffracted beam amplitide given by In these equations,the z direction is perpendicular to the entrance surface, g is a reciprocal lattice vector, the Cg(i) are Fourier coefficients in the expression for a Bloch wave, b(i), X(i) is the Bloch wave excitation coefficient, ϒ(i)=k(i)-K, k(i) is a Bloch wave vector, K is the electron wave vector after correction for the mean inner potential of the crystal, T(q) and D(q) are the transfer function and damping function respectively, q is a scattering vector and the summation is over i=l,N where N is the number of beams taken into account.

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