A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared with the conventional DH theory,the minimum-modified DH theory only introduces an extra surface charge density...A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared with the conventional DH theory,the minimum-modified DH theory only introduces an extra surface charge density to capture the electrostatic effect of the size asymmetry of the electrolytes and hence facilitates a boundary element method for electrostatic potential calculation.This theory can distinguish the electrostat-ic energies and excess chemical potentials of ions with the same sizes but opposite charges,and is applied to a binary primitive electrolyte solution with moderate electrostatic coupling.Compared with the hyper-netted chain theory,the validity of this modified DH theory demonstrates significant improvement over the conventional DH theory.展开更多
Debye-screening effects on the electron-impact excitation(EIE)processes for the dipole-allowed transition 1 s_(2)^(1)S→1 s2 p^(1)P in He-like Al^(11+)and Fe^(24+)ions are investigated using the fully relativistic dis...Debye-screening effects on the electron-impact excitation(EIE)processes for the dipole-allowed transition 1 s_(2)^(1)S→1 s2 p^(1)P in He-like Al^(11+)and Fe^(24+)ions are investigated using the fully relativistic distorted-wave methods with the Debye-Huckel(DH)model potential.Debye-screening effects on the continuum-bound(CB)interaction and target ion are discussed,both of which result in reduction of EIE cross sections.This reduction due to screening on the CB interaction is dominant.The non-spherical and spherical DH potentials are adopted for considering the screening effect on the CB interaction.It is found that the spherical DH potential could significantly overestimate the influence of plasma screening on EIE cross sections for multielectron He-like ions.展开更多
Peter Debye and Erich Hückel had developed a theory for the ionic activity coefficients in dilute solutions of strong electrolytes some 95 years ago [1]. Their limiting law still stands and is confirmed as close ...Peter Debye and Erich Hückel had developed a theory for the ionic activity coefficients in dilute solutions of strong electrolytes some 95 years ago [1]. Their limiting law still stands and is confirmed as close to reality in many experiments. In a previous article [2], it is shown that these limiting activity coefficients arise because the electrical contribution in the electrochemical potential of ionic species is overestimated traditionally with a factor 2. The smaller value removes inconsistencies in the models and complies better with the basic electrostatic principles. In this article further evidence is given in support of this alternative description. As consequence the dilute activity coefficients become unity, e.g. are removed, which means that the electrochemical potential of ions in dilute solutions is expressed directly in concentration, instead of activity, which simplifies modelling in such dilute solutions.展开更多
The generalized oscillator strengths (GOSs) of 2p63s0 (3p, 4p, 5p, 6p) states excited from sodium ground state in Debye plasma, are studied by two kinds of theoretical approaches: the restricted Hartree-Fock (RHF) met...The generalized oscillator strengths (GOSs) of 2p63s0 (3p, 4p, 5p, 6p) states excited from sodium ground state in Debye plasma, are studied by two kinds of theoretical approaches: the restricted Hartree-Fock (RHF) method and the random phase approximation with exchange (RPAE). Wavefunctions of the ground state and the excited states are calculated numerically from the RHF equation, employing the local density approach for exchange interaction including, in extension, plasma screening effects. The GOSs have been computed by using these wavefunctions. The results of RHF and RPAE calculations of the GOS for different Debye lengths have been reported for sodium dipole excitation to 3s0 (3p, 4p, 5p, 6p). We show, in this study, that RPAE results for values of Debye length D = 30, 100, ∞ are in excellent agreement with those found by other authors. The results of RPAE calculations show that correlation effects are quite significant around the maxima GOS for the excitations to 3s0 (4p, 5p, 6p) but are found to have no great influence in the GOS for the dipole excitation to 3s03p. We find that the amplitude of the GOS has noticeably been reduced in going from higher to lower Debye length. We’ve observed here that the peak of the GOS shifts towards a small momentum transfer when the value D = 20 a.u is taken. These results show an important influence of the Debye plasma screening interactions on the GOS as the screening Debye length is decreased.展开更多
基金Supported by the National Natural Science Foundation of China(No.51422212 and 21307142)Ningbo Science and Technology Bureau(No.2015A610248,2015B11003)+2 种基金Zhejiang Provincial Natural Science Foundation of China(LR16B030001)C.Wong Education Foundation(rczx0800)Chinese Academy of Science(QYZDB-SSW-JSC037,ZDRW-CN-2016-1)
基金supported by the National Natural Science Foundation of China(No.21863001)a startup package from Guizhou Education University(to Tiejun Xiao)+1 种基金the Natural Science Foundation of de-partment of education of Guizhou province(No.QJKY[2015]483)a startup package from Guizhou Education University(to Yun Zhou).
文摘A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared with the conventional DH theory,the minimum-modified DH theory only introduces an extra surface charge density to capture the electrostatic effect of the size asymmetry of the electrolytes and hence facilitates a boundary element method for electrostatic potential calculation.This theory can distinguish the electrostat-ic energies and excess chemical potentials of ions with the same sizes but opposite charges,and is applied to a binary primitive electrolyte solution with moderate electrostatic coupling.Compared with the hyper-netted chain theory,the validity of this modified DH theory demonstrates significant improvement over the conventional DH theory.
基金Project supported by the Science Challenge Project(Grant No.TZ2016001)the National Key Research and Development Program of China(Grants Nos.2017YFA0403200 and 2017YFA0402300)+1 种基金the Funds for Innovative Fundamental Research Group Project of Gansu Province,China(Grant No.20JR5RA541)the National Natural Science Foundation of China(Grants Nos.11774037 and 12064041)。
文摘Debye-screening effects on the electron-impact excitation(EIE)processes for the dipole-allowed transition 1 s_(2)^(1)S→1 s2 p^(1)P in He-like Al^(11+)and Fe^(24+)ions are investigated using the fully relativistic distorted-wave methods with the Debye-Huckel(DH)model potential.Debye-screening effects on the continuum-bound(CB)interaction and target ion are discussed,both of which result in reduction of EIE cross sections.This reduction due to screening on the CB interaction is dominant.The non-spherical and spherical DH potentials are adopted for considering the screening effect on the CB interaction.It is found that the spherical DH potential could significantly overestimate the influence of plasma screening on EIE cross sections for multielectron He-like ions.
文摘Peter Debye and Erich Hückel had developed a theory for the ionic activity coefficients in dilute solutions of strong electrolytes some 95 years ago [1]. Their limiting law still stands and is confirmed as close to reality in many experiments. In a previous article [2], it is shown that these limiting activity coefficients arise because the electrical contribution in the electrochemical potential of ionic species is overestimated traditionally with a factor 2. The smaller value removes inconsistencies in the models and complies better with the basic electrostatic principles. In this article further evidence is given in support of this alternative description. As consequence the dilute activity coefficients become unity, e.g. are removed, which means that the electrochemical potential of ions in dilute solutions is expressed directly in concentration, instead of activity, which simplifies modelling in such dilute solutions.
文摘The generalized oscillator strengths (GOSs) of 2p63s0 (3p, 4p, 5p, 6p) states excited from sodium ground state in Debye plasma, are studied by two kinds of theoretical approaches: the restricted Hartree-Fock (RHF) method and the random phase approximation with exchange (RPAE). Wavefunctions of the ground state and the excited states are calculated numerically from the RHF equation, employing the local density approach for exchange interaction including, in extension, plasma screening effects. The GOSs have been computed by using these wavefunctions. The results of RHF and RPAE calculations of the GOS for different Debye lengths have been reported for sodium dipole excitation to 3s0 (3p, 4p, 5p, 6p). We show, in this study, that RPAE results for values of Debye length D = 30, 100, ∞ are in excellent agreement with those found by other authors. The results of RPAE calculations show that correlation effects are quite significant around the maxima GOS for the excitations to 3s0 (4p, 5p, 6p) but are found to have no great influence in the GOS for the dipole excitation to 3s03p. We find that the amplitude of the GOS has noticeably been reduced in going from higher to lower Debye length. We’ve observed here that the peak of the GOS shifts towards a small momentum transfer when the value D = 20 a.u is taken. These results show an important influence of the Debye plasma screening interactions on the GOS as the screening Debye length is decreased.
