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Physical Review A

Diffusion of hydrogen atoms in helium gas and helium atoms in hydrogen gas

H-K. Chung, A. Dalgarno

Published Jul 22, 2002• 23 citations
Publisher

Abstract

The potential of Meyer and Frommhold describing the interaction between hydrogen and helium atoms is used to calculate the diffusion coefficients of hydrogen atoms in helium gas and helium atoms in hydrogen gas as functions of temperature, taking into account higher-order corrections of transport theory. Comparison with experiment suggests that the interaction potential should be steepened at small nuclear separations. Calculations of the diffusion coefficients for temperatures between zero and 1000 K with the modified potential are reported. The corresponding H-He scattering length resulting from the zero-temperature value of the diffusion coefficients has the magnitude ${0.359a}_{0}.$ Direct calculation shows it to be negative.

DOI
10.1103/physreva.66.012712

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Abstract 1. In a previous paper, the author has shown that the anomalous scattering of α-particles in helium can be accounted for, if one postulates the validity of the wave mechanics to describe the phenomenon, and assumes a simple spherically symmetrical form for the field between the two colliding particles. The solutions obtained were exact, no approximate methods being used, but only the scattering at large angles, 34° and 45°, was considered. The purpose of this paper is threefold. Firstly, these results are extended to the case of the scattering of α-particles by hydrogen, and good agreement with experiment is obtained. Secondly, it is shown that the scattering at small angles both in hydrogen and in helium can be explained by the same field as is used to explain the scattering at large angles. It is therefore no longer necessary to assume a “plate-like” form for the α-particle, in order to explain the scattering at small angles, as formerly according to the classical mechanics. Thirdly, a discussion is given of the extent to which the explanation here advanced for the experimental results is dependent on the particular form assumed for the potential energy of the one particle in the field of the other. It is found that, provided we assume that the potential energy, V(r), is Coulombian for distances greater than about 5 X 10-13 cm., then whatever the form of the potential for smaller distances, the ratio, R, of the scattering to that to be expected from a purely Coulombian field is given by the formula R = |e-i/ak. logcos2א + iak cos2 א (e2iK0— 1)|2, where the scattering is in hydrogen, א is angle of scattering, and ak = hv/4πє2. A similar formula is found for the scattering in helium. The formula contains only one parameter, K0, which depends on the velocity of the incident α-particles, v, and also on the field assumed, but is independent of the angle of scattering, א. Thus we may determine K0 from the observed scattering for a given value of v and of א, and deduce the scattering at other angles for the same value of the velocity. The agreement obtained with experiment is then quite independent of any special choice of a potential energy function. In order to calculate K0 and its variation with v, we should have to assume a particular form for V(r) Conversely, from the values of K0 determined by the experimental values of R, we may calculate V(r) as in the previous paper for the case of two α-particles. 2. The Scattering Formula for Hydrogen.—In the experiments on the scattering by hydrogen, it is found convenient to count the scintillations due to the hydrogen nuclei projected forward by the collision rather than those due to the deflected α-particles themselves, and therefore in this portion of the paper we shall denote by It the ratio of the number of protons found experimentally to be projected in a given direction, to the number predicted by the Rutherford law. The fact that R refers to the particles struck on from rest makes a considerable simplification in the collision relations, for if we consider the collision of two particles of mass m1 and m2, of which m1 is initially at rest, and if we denote by א the angle made by the final direction of motion of this particle with the incident direction of m2, and by θ the angle through which either particle is deflected, measured in a frame of reference moving with the velocity of the centre of gravity of the two particles, then א = ½ (π - 0), (1) independently of the ratio m1/m2. The relation between the angle θ and the angle ϕ, through which the incident particle m2 is deflected, is on the other hand dependent on the relative masses of the particles.

Proceedings of the Royal Society of London Series A Containing Papers of a Mathematical and Physical Character•Jun 1, 1932•21 citations
The potential of Meyer and Frommhold describing the interaction between hydrogen and helium atoms is used to calculate the diffusion coefficients of hydrogen atoms in helium gas and helium atoms in hydrogen gas as functions of temperature, taking into account higher-order corrections of transport theory. Comparison with experiment suggests that the interaction potential should be steepened at small nuclear separations. Calculations of the diffusion coefficients for temperatures between zero and 1000 K with the modified potential are reported. The corresponding H-He scattering length resulting from the zero-temperature value of the diffusion coefficients has the magnitude 0.359a0.{0.359a}_{0}.0.359a0​. Direct calculation shows it to be negative.
A non-adiabatic model is employed to investigate the H-H scattering at low temperatures. Unlike molecular-orbital calculation technique, no separate calculations are required to obtain the potential energies of electrons in the field of hadrons. This model generates the non-adiabatic effective potential automatically. The coefficients of van der Waals and higher-order potentials are estimated in the present model and are found to be in very good agreement with the corresponding standard values. The s -wave singlet and triplet scattering lengths and thermal-average total triplet cross-section at 2 K are reported and compared with the existing theoretical and experimental predictions.
The general results recently obtained for the Boltzmann collision term in a gas of atomic hydrogen are applied to the study of longitudinal spin diffusion in high magnetic fields. This phenomenon can be described as a diffusion of concentration in a four component reactive mixture (the reaction being here the electronic transfer between nuclei). A numerical discussion of all the coefficients of the diffusion matrix between 100 mK to 100 K is given in the text, together with a discussion of the nature of the hydrodynamic modes in such a situation. The variations of the diffusion coefficients with the internal state of the gas are important for temperatures lower than 500 mK or higher than 10 K, when the spin exchange process is not negligible compared to the direct process. Finally, the relative importance of these two processes determines the nature of the hydrodynamic modes in the system.
Accurate scattering lengths and effective ranges for hydrogen atomic collisions are determined from effective range theory. The precise ab initio b3Σ+u potential energy curve values of H2 calculated by Kolos and Wolniewicz and C6, C8, C10 long-range expansion coefficients are used in obtaining accurate representation of the two-body interaction potential. The s-wave scattering length obtained for this potential (A =1/33455 ao) is used to calculate the zero temperature energy as a function of density of electron spin-polarized ("spin-aligned") atomic hydrogen (H+) using previous many-body perturbation theory results for bosons. Neglecting small potential shape dependent terms, one obtains E/N (energy per particle ) as a function of density, which may be compared with similar results obtained from Monte-Carlo or variational calculations. The scattering lengths and effective ranges for the other hydrogen isotopic systems are also presented. It is shown that the first bound state for the b3Σ+u potential (within the Born-Oppenheimer approximation) only exists for a hypothetical isotopic species with mass larger than a value m = 3.258176 g/mole (where the scattering length becomes infinite). In terms of the quantum parameter, η ≡ [MATH]2/ (2µεσ2), two-body binding occurs in the b3Σ+u potential only for η < 0.17094. The second order liquid-to-gas transition (corresponding to the onset of infinite-body binding) occurs at the accurately determined critical value of the quantum parameter ηCB = 0.43891. This corresponds to zero scattering length.
The elastic scattering of two hydrogen atoms interacting at very small energies is explored numerically using the most accurate potential-energy curves available for the X $^{1}\mathrm{\ensuremath{\Sigma}}_{\mathrm{g}}^{+}$ and $^{3}\mathrm{\ensuremath{\Sigma}}_{\mathrm{u}}^{+}$ states of H2{\mathrm{H}}_{2}H2​. The scattering lengths and low-temperature-averaged cross sections are determined and compared with previous calculations. The scattering lengths are 0.41a0{\mathit{a}}_{0}a0​ for the singlet case and 1.91a0{\mathit{a}}_{0}a0​ for the triplet. The predicted total triplet cross section at 2 K is 5.5\ifmmode\times\else\texttimes\fi{}${10}^{\mathrm{\ensuremath{-}}15}$ cm2{\mathrm{cm}}^{2}cm2 but it could be lower, at 4.8\ifmmode\times\else\texttimes\fi{}${10}^{\mathrm{\ensuremath{-}}15}$ cm2{\mathrm{cm}}^{2}cm2, with a different fit to the triplet potential between 12a0{\mathit{a}}_{0}a0​ and 15a0{\mathit{a}}_{0}a0​. A more accurate triplet-state potential is needed at these separations.
Abstract 1. In a previous paper, the author has shown that the anomalous scattering of α-particles in helium can be accounted for, if one postulates the validity of the wave mechanics to describe the phenomenon, and assumes a simple spherically symmetrical form for the field between the two colliding particles. The solutions obtained were exact, no approximate methods being used, but only the scattering at large angles, 34° and 45°, was considered. The purpose of this paper is threefold. Firstly, these results are extended to the case of the scattering of α-particles by hydrogen, and good agreement with experiment is obtained. Secondly, it is shown that the scattering at small angles both in hydrogen and in helium can be explained by the same field as is used to explain the scattering at large angles. It is therefore no longer necessary to assume a “plate-like” form for the α-particle, in order to explain the scattering at small angles, as formerly according to the classical mechanics. Thirdly, a discussion is given of the extent to which the explanation here advanced for the experimental results is dependent on the particular form assumed for the potential energy of the one particle in the field of the other. It is found that, provided we assume that the potential energy, V(r), is Coulombian for distances greater than about 5 X 10-13 cm., then whatever the form of the potential for smaller distances, the ratio, R, of the scattering to that to be expected from a purely Coulombian field is given by the formula R = |e-i/ak. logcos2א + iak cos2 א (e2iK0— 1)|2, where the scattering is in hydrogen, א is angle of scattering, and ak = hv/4πє2. A similar formula is found for the scattering in helium. The formula contains only one parameter, K0, which depends on the velocity of the incident α-particles, v, and also on the field assumed, but is independent of the angle of scattering, א. Thus we may determine K0 from the observed scattering for a given value of v and of א, and deduce the scattering at other angles for the same value of the velocity. The agreement obtained with experiment is then quite independent of any special choice of a potential energy function. In order to calculate K0 and its variation with v, we should have to assume a particular form for V(r) Conversely, from the values of K0 determined by the experimental values of R, we may calculate V(r) as in the previous paper for the case of two α-particles. 2. The Scattering Formula for Hydrogen.—In the experiments on the scattering by hydrogen, it is found convenient to count the scintillations due to the hydrogen nuclei projected forward by the collision rather than those due to the deflected α-particles themselves, and therefore in this portion of the paper we shall denote by It the ratio of the number of protons found experimentally to be projected in a given direction, to the number predicted by the Rutherford law. The fact that R refers to the particles struck on from rest makes a considerable simplification in the collision relations, for if we consider the collision of two particles of mass m1 and m2, of which m1 is initially at rest, and if we denote by א the angle made by the final direction of motion of this particle with the incident direction of m2, and by θ the angle through which either particle is deflected, measured in a frame of reference moving with the velocity of the centre of gravity of the two particles, then א = ½ (π - 0), (1) independently of the ratio m1/m2. The relation between the angle θ and the angle ϕ, through which the incident particle m2 is deflected, is on the other hand dependent on the relative masses of the particles.