Stereo-dynamics of the exchange reaction HaWLiHb → LiHa＋Hb and its isotopic variants

<正>The quasi-classical trajectory(QCT) method is used to calculate the stereo-dynamics of the exchange reaction H_a+LiH_b→LiH_a+H_b and its isotopic variants based on an accurate potential energy surface reported by Prudente et al.[Prudente F V,Marques J M C and Maniero A M 2009 Chem.Phys.Lett.474 18].The reactive probability of the title reaction is computed.The vector correlations and four polarization-dependent generalized differential cross sections(PDDCSs) at different collision energies are presented.The influences of the collision energy and the reagent rotation on the product polarization are studied in the present work.The results indicate that the product rotational angular momentum j’ is not only aligned,but also oriented along the direction perpendicular to the scattering plane. The product polarization distributions of the title reaction and its isotopic variants exhibit distinct differences which may arise from different mass combinations.     

Quasiclassical trajectory theoretical study on the chemical stereodynamics of the O(~1D)+H_2→OH+H reaction and its isotopic variants (HD,D_2)

The quasiclassical trajectory (QCT) method is used to study stereodynamic information about the reaction O ( 1 D) + H 2 →OH + H on the DK (Dobbyn and Knowles) (1 1 A' ) ab initio potential energy surface (PES). A wide scale of collision energy (E c ) from 0.05 eV to 0.5 eV is considered in the dynamic calculations. To reveal the rovibrational excitation effect, calculations at a collision energy of 0.52 eV are carried out for the v = 0 ～ 5, j = 0 and v = 0, j = 0 ～ 15 initial states. The two popularly used polarization-dependent differential cross sections (PDDCSs), dσ 00 /dω t (0, 0) and dσ 20 /dω t (2, 0), and two angular distributions, P(θ r ) and P( r ) are calculated to obtain an insight into the alignment and the orientation of the product molecules. From the calculations, we can obtain that the alignment of the OH product is weaker at high collision energy and becomes stronger with the increase of initial vibrational level, and it is almost insensitive to the initially rotational excitation. Influences of the mass values of isotopes (HD, D 2 ) on the stereodynamics are also shown and discussed. Comparisons between available theoretical results and experimental results are made and discussed.     

Energy and angular distributions of deuterons from the D + D → p + n + d reaction

The energy and angular distributions of deuterons from the D + D → p + n + d reaction are experimentally and theoretically studied. The experiment is conducted on the U-240 cyclotron at the Institute for Nuclear Research in an extracted beam of deuterons with energy E _D = 36.9 MeV. A theoretical analysis has been performed using the microscopic diffraction nuclear model, within which the final-state interaction is considered and simple expressions for internal wave functions and approximations that include quasibinary mechanisms are employed.     

Quasiclassical teheory of the reaction scattering AB + CD → AC + BD

A quantum-mechanical, three-dimensional, quasiclassical theory is developed for the effective cross section of the chemical reaction AB + CD AC + BD. The quasiclassical approximation is used on the basis of the Born formula for the differential effective cross section. The steady-phase method is used to calculate the integrals appearing in the formula for the differential effective cross section. An analytic solution of the problem is found. The formulas obtained are convenient for use in performing numerical calculations.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 57–62, February, 1982.     

Influence of reagent vibration on the stereodynamics of the Li + HF → LiF + H reaction

We investigate the influence of reagent vibration on the stereodynamics of the title reaction by the quasi-classical trajectory on the Aguado-Paniagua2-potential energy surface developed by Aguado et al. (J. Chem. Phys. 1997 106 1013). The cross sections and reaction probability as functions of the reagent vibration are calculated in the centre-of-mass frame. The product angular distributions of p(θ_r), p(φ_r), and p(θ_r, φ_r), which reflect the vector correlation, are also presented and discussed. The results indicate that the vector properties are sensitively affected by the vibrational excitation.     

Stereodynamics study of the exchange reaction O(~3P)+CH_4 →H+OCH_3

A new London-Eyring-Polanyi-Sato potential energy surface is employed in this work to study the stereo properties of the O(3P)+CH4 →H+CH3O reaction in its rovibrationally ground state using the quasiclassical trajectory method(QCT).Our calculations are performed at a range of collision energies,Ec=1.5eV～3.5eV,and the excitation function obtained by the QCT method accords well with the experimental data.The product rotational polarization is calculated,and the product shows a strong rotational polarization in the centre-of-mass coordinate system.The orientation of the product rotational angular momenta is sensitive to the increase in collision energy,and the alignment of the product rotational angular momenta shows some of the properties of the heavy heavy-light mass combination reactions.In the isotopic substituted reaction study,when the H atoms in methane are replaced by D atoms,the rotational polarization is obviously reduced.The polarization-dependent differential cross section is also studied by this QCT calculation to provide detailed information about the rotational alignment and orientation of the product.     

Effect of reagent vibrational excitation and isotope substitution on the stereo-dynamics of the Ba+HF→BaF+H reaction

Based on an extended London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES), the Ba + HF reaction has been studied by the quasi-classical trajectory (QCT) method. The reaction integral cross section as a function of collision energy for the Ba + HF → BaF + H reaction is presented and the influence of isotope substitution on the differential cross sections (DCSs) and alignments of the product's rotational angular momentum have also been studied. The results suggest that the integral cross sections increase with increasing collision energy, and the vibrational excitation of the reagent has great influence on the DCS. In addition, the product's rotational polarization is very strong as a result of heavy-heavy-light (HHL) mass combination, and the distinct effect of isotope substitution on the stereodynamics is also revealed.     

News on the physics potential of the reaction e^+e^-→ Zγ

The next large project in particle physics is widely expected to be a high-energy electron-positron collider.Such a facility could be realised as a circular collider,like the Circular Electron Positron Collider(CEPC)and the Future e^+e^-Circular Collider(FCC-ee)[1],or as a linear collider,like the International Linear Collider(ILC)and the Compact Linear Collider(CLIC)[2].     

Scaling in the mean of the p+p→π0+X inclusive reaction data and the energy dependence of Feynman variable

We have studied the p+p⁰+X inclusive reaction data of Carey et al. in the framework of the scaling in the mean hypothesis first proposed by Dao et al. These data have been used to obtain the gamma ray spectrum in terms of the average value of the Feynman variablex, written as x.A comparison with the observed gamma ray spectrum at Mt. Chacaltaya by the Japanese and Brazilian Group gives the energy dependence of x at very high energy.     

The collision energy effect on the stereodynamics of the Ca + HCl→CaCl + H reaction

The stereodynamics of the reaction of Ca + HCl are calculated at three different collision energies based on the potential energy surface [Verbockhaven G et al. 2005 J. Chem. Phys. 122 204307] using quasi-classical trajectory theory. The polarization-dependent differential cross sections (PDDCSs) (2π/σ )(dσ 00 /dω t ), (2π/σ )(dσ 20 /dωt ), (2π/σ )(dσ 22+ /dωt ), (2π/σ )(dσ 21 /dω t ) and the distributions of P(θ r ), P(φr ), and P(θr ,φr ) are calculated. The results indicate that the rotational polarization of the CaCl product presents different characteristics for the different collision energies, and the effects of the collision energy on the vector potential, including the alignment, orientation, and PDDCSs, are not obvious.     

Exclusive measurement of the pp → nnπ+π+ reaction at 1.1 GeV

First exclusive data for the $\ensuremath{pp \to nn\pi^+\pi^+}$ reaction have been obtained at CELSIUS with the WASA detector setup at a beam energy of T_p = 1.1 GeV. Total and differential cross-sections disagree with theoretical calculations, which predict the $ \Delta$ $ \Delta$ excitation to be the dominant process at this beam energy. Instead, the data require the excitation of one of the nucleons to a higher-lying $ \Delta$ state, preferably the $\ensuremath{\Delta(1600)P_{33}}$ , to be the leading process.     

A model of turbulent mixing in the A+B→0 reaction

The diffusion limited reaction A+B0 in sufficiently low dimensions results in macroscopically self-regregated systems with anomalous reaction rate laws. When the chemical mixture is embedded in a fluctuating velocity field having statistics mimicking turbulent diffusion the effects of spatial inhomogeneities are washed out and the classical global reaction rate laws in three dimensions result.     

The reaction e− + p → Λ + ν and the contributions of the individual form factors to the differential cross section

We calculate the differential cross section for the weak, strangeness changing, electron scattering process, e⁻ + p → Λ + ν, for incoming electron energies of 0.5, 1.0, 2.0, 4.0, and 6.0 GeV. We obtain as well contributions of the individual form factors to the differential cross sections. We find that the differential cross sections peak as the maximal scattering angle for the Λ is approached and that the peak height increases as the electron energy is increased. The behavior of the differential cross section near the maximal angle is discussed as is the possibility of observing this reaction in a facility such as TJNAF.     

Measurement of the πmeson polarizabilities via the γp → γπ+n reaction

An experiment on the radiative ^{+}-meson photoproduction from the proton ( p ^{+}n) was carried out at the Mainz Microtron MAMI in the kinematic region 537MeV < E < 817MeV, 140^° 180^°. The ^{+}-meson polarizabilities have been determined from a comparison of the data with the predictions of two different theoretical models, the first one being based on an effective pole model with pseudoscalar coupling while the second one is based on diagrams describing both resonant and nonresonant contributions. The validity of the models has been verified by comparing the predictions with the present experimental data in the kinematic region where the pion polarizability contribution is negligible ( s₁ < 5m²) and where the difference between the predictions of the two models does not exceed 3%. In the region, where the pion polarizability contribution is substantial ( 5 < s₁/m² < 15, -12 < t/m² < - 2), the difference of the electric () and the magnetic () polarizabilities has been determined. As a result we find . This result is at variance with recent calculations in the framework of chiral perturbation theory.     

QCD corrections to the reaction PP → γγ + X

It is shown that QCD corrections taking into account both collinear and infrared gluons attain a magnitude of the order of 100% in the reaction PP r + X. The value of the K factor is calculated: K1.5–1.6 withk _T 10 (GeV/sec)². Perturbation theory is applicable, since the large constants are exponential and are practically completely taken into account by the K factor.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 82–87, July, 1985.The authors thank A. V. Efremov, A. V. Kadyushkin, and D. V. Shirkov for discussions of the results obtained.