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Showing 1 to 12 of 12 for “"Reaction probability"”.
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Robust Biased Brownian Dynamics for Rate Constant Calculation
A reaction probability is required to calculate the rate constant of a diffusion-dominated reaction. Due to the complicated geometry and potentially high dimension of the reaction probability problem, it is usually solved by Brownian dynamics simulations, which is also known as a random walk or …
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Ultrahigh Vacuum Studies of the Reaction Kinetics and Mechanisms of Nitrate Radical with Model Organic Surfaces
… of the kinetics and mechanisms of heterogeneous reactions between gas-phase nitrate radicals, a key nighttime atmospheric oxidant, and organic particles will enable scientists to predict the fate and lifetime of the particles in the atmosphere. In an effort to acquire knowledge of interfacial …
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Ultrahigh Vacuum Studies of the Reaction Mechanisms of Ozone with Saturated and Unsaturated Self-Assembled Monolayers
… a more complete understanding of the interfacial reactions of ozone with vinyl-containing organic thin films, self-assembled monolayers that contain vinyl groups positioned precisely at the gas/surface interface were synthesized as model systems for atmospheric organic aerosols. To isolate the …
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Fundamental Studies of Reactions between NO3 Radicals and Organic Surfaces
… science experiments were designed to study reaction kinetics and mechanisms of gas-phase NO₃ radicals with well-organized, highly characterized, organic thin films. The surface reactions were monitored in situ with reflection-absorption infrared spectroscopy (RAIRS). The oxidation states of …
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The role of lattice excitation in Si etching
… in no increase in F coverage, indicating that reaction of F₂ with the fluorinated Si surface does not occur. In contrast, further exposure to XeF₂ results in additional reaction, increasing the coverage sufficiently beyond 1 ML F to produce the volatile etch product, SiF 4. The experiments …
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Xenon difluoride etching and molecular oxygen oxidation of silicon by reactive scattering
… silicon at coverages above one monolayer (reaction probability 9x 10-⁴) while XeF₂ does so readily (reaction probability 0.6). Previous studies have demonstrated that both fluorine and xenon difluoride react with silicon via atom-abstraction mechanisms at low coverages, and that the XeF …
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Interactions of Kr(F₂), O₂, and (O₂)₂ with Si(100)
… X in a X(F₂) van der Waals (vdW) molecule. The reaction probability of Kr(F₂) towards fluorinated Si(100) is measured to be 0.2±0.1, which is around two orders of magnitude higher than that of the lighter F₂ and almost one order of magnitude lower than that of the heavier XeF₂/Xe(F₂), thereby …
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Development and Integration of Bioinformatic and Electrostatic Techniques With Application to Biological Systems
… and evaluated. Several exhibited a high reaction probability. These sites were shown to demonstrate properties in agreement with experimental observations and thus are predicted to be good candidates for P450cam-Putidaredoxin binding sites.
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An experimental study of OH uptake by surfaces of tropospheric importance under dry and wet conditions
… developed to further quantify and confirm the reaction probability of OH for the surfaces of interest. While OH exposure of hydrophobic organic surfaces (paraffin wax, pyrene, and methane soot) did not result in measurable change in their relative hydrophilic properties, the presence of water …
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Investigation of the Photoenhanced Reduction of Nitrogen Dioxide (NO2) on Organic Films and Above Soils as the Missing Source of Daytime Tropospheric Nitrous Acid (HONO)
… and diffusion for predicting a best-fit reaction probability, ɣbest-fit, as a function of the experimental parameters is detailed. Emphasis is placed on the kinetics of the photoenhanced NO2 uptake reaction under acidic conditions for humic acids (HA), a ubiquitous group of environmental …
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Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes
… Recent ultrahigh vacuum studies of the reaction of gasphase ozone with surface-bound fullerenes have made it possible to observe the formation and subsequent thermal decomposition of the primary ozonide (PO). As the use of nanomaterials, such as C₆₀, continues to increase, the exposure …
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Copolymerisation of polyesters using reactive extrusion
… copolymers with short PET segments in a reaction time of two minutes. The copolymer's PET segments can be effectively reduced to statistical copolymers by increasing catalyst loading up to the reaction equilibrium predictable by the homopolymer blending ratios. Although it is possible to …