Scaling of the nucleation rate and a Monte Carlo discrete sum approach to water cluster free energies of formation

Article Abstract:

A summation technique using small cluster Helmholtz free energy differences generated with the Bennett Metropolis Monte Carlo technique and TIP4P water-water potentials is examined. The Monte Carlo free energy differences for small TIP4P water clusters, when used in a discrete sum over the small cluster sizes, produce nucleation rates that appear to be partially scaled, with the largest scatter occurring at the lowest temperatures near T = 218 K.

Monte Carlo method, Monte Carlo methods

---

Genesis of Pt clusters in reverse micelles investigated by in situ X-ray absorption

Article Abstract:

The formation mechanism of Pt clusters at the early stages within AOT reverse micelles; in situ X-ray absorption spectroscopy (XAS) has been successfully applied. A corresponding structural model was proposed for each step so that the work provides a detailed insight into the mechanism of nucleation and growth of platinum clusters.

X-ray spectroscopy, Platinum compounds

---

In situ XAS investigation of transformation of Co monolayer on carbon-supported platinum clusters underpotential control

Article Abstract:

A complete electrochemical oxidation-reduction cycle for a Co monolayer on carbon-supported PT clusters in alkaline solution is monitored in situ by x-ray absorption spectroscopy (XAS). The near range order and oxidation state of the Co monolayer as a function of potential is evaluated by in situ XAS.

Methods, Electric properties, Carbon, Oxidation-reduction reaction, Oxidation-reduction reactions, Monomolecular films

Similar abstracts:

• Abstracts: The nature and absolute hydration free energy of the solvated electron in water. Chromogenic and neurotoxic effects of an aliphatic gamma-diketone: computational insights into the molecular structures and mechanism
• Abstracts: Numerical calculation of the dielectric and electrokinetic properties of vesicle suspensions. Numerical calculation of the dynamic dipole coefficient and electrorotation velocity of cells
• Abstracts: Mechanism and regioselectivity for the reactions of propylene oxide with X(100)-2x1 surfaces (X = C, Si, Ge): A density functional cluster model investigation
• Abstracts: Aggregation of thionine within AIMCM-48. Density functional theory applied to structure and vibrational band analysis of an aggregated thiacarbocyanine
• Abstracts: Disjoining pressure and algebraic screening of discrete charges at interfaces. Surface-potential reversibility of an amino-terminated self-assembled monolayer based on nanoprobe chemistry

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.