Monte Carlo simulations of the dissolution of borosilicate and aluminoborosilicate glasses in dilute aqueous solutions

2011 ◽  
Vol 75 (18) ◽  
pp. 5296-5309 ◽  
Author(s):  
Sebastien Kerisit ◽  
Eric M. Pierce
Keyword(s):  
Monte Carlo ◽  
Aqueous Solutions ◽  
Monte Carlo Simulations ◽  
Dilute Aqueous Solutions

The Structure of Hydroxylamine – Water Mixtures

1995 ◽  
Vol 50 (2-3) ◽  
pp. 263-273 ◽  
Author(s):  
Sergi Vizoso ◽  
Bernd M. Rode
Keyword(s):  
Monte Carlo ◽  
Hydrogen Bonding ◽  
Angular Distribution ◽  
Aqueous Solutions ◽  
Monte Carlo Simulations ◽  
Coordination Number ◽  
Water Clusters ◽  
Pure Water ◽  
Distribution Functions ◽  
Pair Energy

Abstract Monte Carlo simulations have been carried our for 5, 25, 50, and 75 weight% aqueous solutions of hydroxylamine. Changes in the microstructure of the solutions have been evaluated by means of radial and angular distribution functions, coordination number distributions and pair energy anal­ysis. The structure of liquid hydroxylamine is strongly altered by even small amounts of water, whereas water clusters similar to the pure water are maintained up to higher NH2OH concentra­tions. The structural entities in the mixtures are determined by hydrogen bonding and electrostatic arrangement of ligands.

Monte Carlo studies on the hydrophobic hydration in dilute aqueous solutions of nonpolar molecules

1979 ◽  
Vol 71 (6) ◽  
pp. 2421-2429 ◽  
Author(s):  
Susumu Okazaki ◽  
Koichiro Nakanishi ◽  
Hidekazu Touhara ◽  
Yoshinori Adachi
Keyword(s):  
Monte Carlo ◽  
Aqueous Solutions ◽  
Hydrophobic Hydration ◽  
Monte Carlo Studies ◽  
Dilute Aqueous Solutions ◽  
Nonpolar Molecules

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

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