Theoretical prediction of the optimal conditions for observing the stereodynamical vector properties of the C(³P) + OH (X²Π) → CO(X¹Σ⁺) + H(²S) reaction

Abstract

The best optimal initial reactant state and collision energy for observing the stereodynamical vector properties of the title reaction in the ground electronic state X 2 A potential energy surface (PES) [Zanchet et al. 2006 J. Phys. Chem. A 110 12017] are theoretically predicted using the quasi-classical trajectory (QCT) method for the first time. The calculated results reveal that the smallest value of the rotational quantum number j, larger vibrational quantum number v, and the lower strength of collision energy should be selected for offering the most obvious picture about the stereodynamical vector properties. Polarization-dependent differential cross sections and the angular momentum alignment distribution, P(θ r ) and P(Φ r ) in the center-of-mass frame, are obtained to gain an insight into the alignment and orientation of the product molecules. The rotational angular momentum vector j of CO is aligned to be perpendicular to reagent relative velocity k. The product polarizations align along the y axis, pointing to the positive direction of the y axis. A new method is developed to investigate massive reactions with various initial states and to further study the vector properties of the fundamental reactions in detail.

Representations of coherent and squeezed states in an extended two-parameter Fock space

“…We would like to emphasize that, all we have done in this section is obtaining the explicit form of canonical CSs in a deformed Fock space |n λ 1 ,λ 2 , which are non-orthogonal, and we called them new representation of canonical CSs. As another result, we conclude that by a particular superposition of |n λ 1 ,λ 2 bases (which themselves exhibit squeezing [11]), we have obtained canonical CSs. Note that, both the orthogonal bases |n which commonly have been used in the construction of CSs, and (one and two parameters) non-orthogonal bases introduced (and applied) by us, are non-classical states.…”

“…In conclusion, in this paper we have used the non-orthogonal squeezed states [11] |n λ 1 ,λ 2 which are the eigen-states of the non-Hermitian Hamiltonian H λ 1 ,λ 2 , as the bases for the construction of our CSs and SSs. We illustrated that, these states can be regarded as the bases of our infinite dimensional Hilbert space with a defined scalar product.…”

“…where ξ n is an appropriate normalization factor, which will be determined in the continuation. In this manner, we have established the fundamental place of the particular kind of deformation proposed in [11] and will be used by us in the present work, in the general framework of representation theory of CSs in non-orthogonal basis.…”

“…For a quantized harmonic oscillator (QHO), one has H 0 = a † a+ 1 2 , [a, a † ] =Î, (a † ) † = a, where a, a † , H andÎ are respectively bosonic annihilation, creation, Hamiltonian and unity operators. We consider the parametric harmonic oscillator, by deforming the creation operator according to the proposal in [11]…”

Corrosion behaviour and mechanism of 6082 aluminium alloy in NaCl and Na2SO4 etchants

“…However, because aluminium alloys are strongly susceptible to halide ions, they are easily corroded by some ions, such as Cl − and SO 4 2− (concentrations of Cl − and SO 4 2− in seawater: 18,980 and 2,560 mg/L, respectively), which results in intergranular corrosion. [6][7][8] Wang et al [9] examined the corrosion resistance of an aluminium alloy by applying an ageing treatment to inhibit pitting corrosion. Wang et al [10] optimized a hotworking process by employing orthogonal experiments to inhibit anodic polarization, thereby improving the electrochemical corrosion resistance.…”