57 resultados para Cross Reactions
Resumo:
Within the concept of the dinuclear system (DNS), a dynamical model is used for describing the formation of superheavy residues in massive fusion reactions, in which the capture of two colliding nuclei, the formation and de-excitation of the compound nucleus are described by using a barrier distribution method, solving master equations numerically and statistical approach, respectively. Using the DNS model, the production cross sections of superheavy nuclei are calculated and compared with the available experimental data. The isotopic dependence of the cross sections to produce the superheavy element Z=116 by the two types of the reactions is discussed and the possible reasons influencing the isotopic trends are analyzed systematically.
Resumo:
Within the framework of the dinuclear system (DNS) model, the production cross sections of superheavy nuclei Hs (Z=108) and Z=112 combined with different reaction systems are analyzed systematically. It is found that the mass asymmetries and the reaction Q values of the projectile target combinations play a very important role on the formation cross sections of the evaporation residues. Both methods to obtain the fusion probability by nucleon transfer by solving a set of microscopically derived master equations along the mass asymmetry degree of freedom (ID) and distinguishing protons and neutrons of fragments (2D) are compared with each other and also with the available experimental data. (C) 2010 Elsevier B.V. All rights reserved.
Resumo:
Fragment yields for Z >= 5 from projectile fragmentation using primary beams of Ar-36,Ar-40 at 50 MeV/nucleon on Ni-64 target have been measured in RIBLL fragment separator. We compare the fragment cross sections with the predictions of the empirical EPAX parametrization of fragmentation cross-sections and Statistical Abration-Ablation model (SAA) by considering the RIBLL separator transmission rate. Isotope yield ratios between these two reactions were calculated and isoscaling parameters alpha and beta are extracted, their dependences on fragment atomic number Z and neutron number N were presented.
Resumo:
In this review, a few examples of state-to-state dynamics studies of both unimolecular and bimolecular reactions using the H-atom Rydberg tagging TOF technique were presented. From the H2O photodissociation at 157 nm, a direction dissociation example is provided, while photodissociation of H2O at 121.6 has provided an excellent dynamical case of complicated, yet direct dissociation process through conical intersections. The studies of the O(D-1) + H-2 --> OH+H reaction has also been reviewed here. A prototype example of state-to-state dynamics of pure insertion chemical reaction is provided. Effect of the reagent rotational excitation and the isotope effect on the dynamics of this reaction have also been investigated. The detailed mechanism for abstraction channel in this reaction has also been closely studied. The experimental investigations of the simplest chemical reaction, the H-3 system, have also been described here. Through extensive collaborations between theory and experiment, the mechanism for forward scattering product at high collision energies for the H+HD reaction was clarified, which is attributed to a slow down mechanism on the top of a quantized barrier transition state. Oscillations in the product quantum state resolved different cross sections have also been observed in the H+D-2 reaction, and were attributed to the interference of adiabatic transition state pathways from detailed theoretical analysis. The results reviewed here clearly show the significant advances we have made in the studies of the state-to-state molecular reaction dynamics.
Resumo:
A highly efficient Pd(OAc)(2)/guanidine aqueous system for the room temperature Suzuki cross-coupling reaction has been developed. The new water-soluble and air-stable catalyst Pd(OAc)(2)(.)(1f)(2) from Pd(OAc)(2) and 1,1,3,3-tetramethyl-2-n-butylguanidine (1f) was synthesized and characterized by X-ray crystallography. In the presence of Pd(OAc)(2)(.)(1f)(2), coupling of arylboronic acids with a wide range of aryl halides, including aryl iodides, aryl bromides, even activated aryl chlorides, was carried out smoothly in aqueous solvent to afford the cross-coupling products in good to excellent yields and high turnover numbers (TONs) (TONs up to 850 000 for the reaction of 1-iodo-4-nitrobenzene and phenylboronic acid). Furthermore, this mild protocol could tolerate a broad range of functional groups.
Resumo:
A facile and efficient one-pot synthesis of highly substituted pyridin-2(IH)-ones was developed via Vilsmeier-Haack reactions of readily available enaminones, 2-arylamino-3-acetyl-5,6-dihydro-4H-pyrans, and a mechanism involving sequential ring-opening, haloformylation, and intramolecular nucleophilic cyclization reactions is proposed.
Resumo:
A new sterically hindered monooxychlorophosphine was synthesized and the complex generated in situ from its reaction with Pd-2(dba)(3) promoted the Suzuki-Miyaura reactions of arylboronic acids with aryl chlorides in good yields.
Resumo:
The explicit expression between composition and mechanical properties of silicone rubber was derived from the physics of polymer elasticity, the implicit expression among material composition, reaction conditions and reaction efficiency was obtained from chemical thermodynamics and kinetics, and then an implicit multi-objective optimization model was constructed. Genetic algorithm was applied to optimize material composition and reaction conditions, and the finite element method of cross-linking reaction processes was used to solve multi-objective functions, on the basis of which a new optimization methodology of crosslinking reaction processes was established. Using this methodology, rubber materials can be designed according to pre-specified requirements.
Resumo:
An air- and water-stable PEG-supported bidentate nitrogen ligand is prepared and its applications in the palladium-catalyzed Suzuki reaction of aryl halides with arylboronic acids in PEG and Suzuki-type reaction of aryl halides with sodium tetraphenylborate in aqueous media are reported. The homogeneous catalyst system is environmentally friendly and offers the advantages of high activity, reusability and easy separation.
Resumo:
Room-temperature ionic liquids are good solvents for a wide of organic, inorganic and organometallic compounds. Typically consisting of nitrogen-containing organic cations and inorganic anions, they are easy to recycle, nonflammable, and have no detectable vapor pressure. More recently, ionic liquids have been found to be excellent solvents for a number of chemical reactions, e. g. hydrogenation, alkylation, epoxidation, Heck-vinylation, Suzuki cross-coupling reactions and enzyme catalyzed organic reactions. This paper focuses on the recent development of using ionic liquids as solvents for transition metal and enzyme catalyzed reactions.
Resumo:
An investigation into the three-dimensional propagation of the transmitted shock wave in a square cross-section chamber was described in this paper, and the work was carried out numerically by solving the Euler equations with a dispersion-controlled scheme. Computational images were constructed from the density distribution of the transmitted shock wave discharging from the open end of the square shock tube and compared directly with holographic interferograms available for CFD validation. Two cases of the transmitted shock wave propagating at different Mach numbers in the same geometry were simulated. A special shock reflection system near the corner of the square cross-section chamber was observed, consisting of four shock waves: the transmitted shock wave, two reflection shock waves and a Mach stem. A contact surface may appear in the four-shock system when the transmitted shock wave becomes stronger. Both the secondary shock wave and the primary vortex loop are three-dimensional in the present case due to the non-uniform flow expansion behind the transmitted shock.
Resumo:
It is assumed that both translational and rotational nonequilibrium cross-relaxations play a role simultaneoulsy in low pressure supersonic cw HF chemical laser amplifier. For two-type models of gas flow medium with laminar and turbulent flow diffusion mixing, the expressions of saturated gain spectrum are derived respectively, and the numerical calculations are performed as well. The numerical results show that turbulent flow diffusion mixing model is in the best agreement with the experimental result.
Resumo:
The cross-sectional indentation method is extended to evaluate the interfacial adhesion between brittle coating and ductile substrate. The experimental results on electroplated chromium coating/steel substrate show that the interfacial separation occurs due to the edge chipping of brittle coating. The corresponding models are established to elucidate interfacial separation processes. This work further highlights the advantages and potential of this novel indentation method.
Resumo:
We report the observation of a deformation twin formed by a recently proposed self-thickening, cross-slip twinning mechanism. This observation verifies one more twinning mechanism, in addition to those reported before, in nanocrystalline face-centered-cubic metals. In this mechanism, once the first Shockley partial is emitted from a grain boundary, and cross slips onto another slip plane, a deformation twin could nucleate and grow in both the primary and cross-slip planes without requiring the nucleation of additional Shockley partials from the grain boundary.
Resumo:
Resonant cavity modes in a torus with elliptical cross section are studied by means of a direct variational method. The nonlinear effects of toroidicity and ellipticity on the frequency of the basic mode are analyzed simply and systematically without the restriction of linear theory. It is shown that the toroidicity effect on the m = 0 transverse magnetic mode is less-than-or-equal-to 11%. The frequency of the mode shifts approximately 11-29% when the elongation of the cross section changes from 1 to 2. The effects of toroidicity and ellipticity differ for each resonant mode.