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comsol部分气体碰撞界面数据(超长!)

2022-07-17 19:30 作者:ChatGPT云炬学长  | 我要投稿

COMPILATION OF ELECTRON CROSS SECTIONS USED BY A. V. PHELPS

 

Please refer to these data using the sources cited for each gas. 

Please do not refer to any of them as "JILA cross sections", 

because a) the data shown here for a given gas may come from 

several sources that should be referred to by the respective 

authors names; b) in most cases no one else at JILA or NIST has 

approved the data or even looked at it.  Reference to this data as 

"JILA data" could be interpreted incorrectly as indicating NIST 

approval and could jepordize my Web site usage.

 

GASES COMPILED: O2, N2, CO, CO2, H2, H2O, NO, SF6, He, Ne, Ar,

Xe, Na, and Mg 

 

Comments are made on cross sections from other sources for some 

of these and other gases.

 

WE MAKE NO CLAIMS FOR THESE CROSS SECTIONS BEYOND THOSE STATED IN 

THE PAPERS WHERE THEY ARE PUBLISHED OR CITED.  IN MOST CASES THESE

CROSS SECTIONS WERE ASSEMBLED IN THE 1970'S AND 1980'S.  IN ONLY A 

FEW CASES HAVE THEY BEEN MODIFIED OR TESTED SINCE THAT TIME. I DO 

NOT PLAN ANY UPDATES.  ADDITIONS HAVE BEEN MADE WHEN CROSS

SECTIONS HAVE BEEN ASSEMBLED FOR OTHER PURPOSES.  SINCE THE JILA 

INFORMATION CENTER WAS CLOSED BY NIST, THERE IS NO ONE THERE TO 

HELP YOU.  OPINIONS EXPRESSED ARE THOSE OF A. V. PHELPS AND DO NOT 

IMPLY JILA, CU, OR NIST APPROVAL.

 

The cross sections are in 1E-16 cm2.  The two-term Boltzmann code, 

BACKPRO, used in deriving our cross sections employs linear 

interpolation between points in the cross section tables.  

Therefore linear interpolation should be applied when using them. 

Except as noted below for N2, the cross sections listed in JILA 

Information Center Reports 26, 27, and 28 for N2, H2, and O2 

should be the same as those listed here.  (This aspect has not 

been checked in detail, so please inform me of discrepancies.)

 

It should be kept in mind that the momentum transfer cross sections 

tabulated are effective values that include the effects of inelastic 

collisions as is appropriate for use in the two-tern spherical harmonic 

expansion.  See, for example, Baraff and Buchsbaum, Phys. Rev. 130, 

1007 (1963) and Sec. IIB of Pitchford and Phelps, Phys. Rev. A 25, 

540 (1982).  Where data is available, the effective Qm is set 

equal to the sum of the inelastic cross sections plus the elastic 

momentum transfer cross section. This is an approximate relation.

 

Some of the terms used in the tables and the BACKPRO code are:

 

QSCALE is a factor by which the input cross sections from the 

various sources were multiplied to get the values shown here 

and used in the Boltzmann equation.  

 

ENERGY LOSS is the inelastic energy loss in eV.

 

LOWER LIMIT and UPPER LIMIT were used by BACKPRO to limit

the range within which the tables were interpolated.  

Interpolation was the most time-consuming step in the code.

 

EBR is a parameter used to describe the sharing of energy

among the two electrons resulting from ionization.  It is

the parameter w in Yoshida, Phelps, and Pitchford, Phys. Rev. 

27, 1345 (1983) and its choice is based on the data of Opal, 

Peterson, and Beaty, Phys. Rev. 55, 4100 (1971).

 

BACKPRO is the FORTRAN code for the solution of the electron 

Boltzmann equation developed by Frost and Phelps, Phys. Rev. 

127, 1621 (1962) and modified by Phelps and coworkers in later 

papers.  A detailed analysis of the code as of 1975 has been

given by P.H. Luft, JILA Information Center Report No. 14, 

October 1975.  Changes since then are minimally documented, 

but include accounting for the electrons produced by electron

impact ionization during either a spatial or temporal 

exponential growth.  See Yoshida et al as cited above.

 

These cross sections were derived to give a good fit 

to published electron transport, excitation coefficient, 

attachment coefficient, and ionization coefficient data 

for the pure gases.  In many cases they have been tested 

satisfactorily against similar swarm data for gas mixtures, 

e.g., CO2 laser mixtures, H2-Ar mixtures, N2-SF6 mixtures, 

and atmospheric pressure dry and moist air.  In several 

cases, e.g., He, Ar, and Xe, we have not attempted to 

distinguish among the various excited states and find the

cross sections satisfactory for models of mixtures and of

ionization and transport in the pure gases.

 

Please refer to the published articles where possible.  

Also, please inform me of any errors or inconsistencies.

 

Original file preparation 10/29/95.

Last revision of file 06/24/08.

 

A. V. Phelps, Retired

JILA

University of Colorado

Boulder, CO 80309-0440

e-mail: avp@jila.colorado.edu

 

General remarks on electron collision cross sections:

 

For a recent review of electron cross sections see:

T. D. Mark, Y. Hatano, and F. Linder, "Electron Collision 

Cross Sections" in "Atomic and molecular data for 

radiotherapy and radiation research" IAEA-TECDOC-799, May 

1995, Chapt. 2. This chapter contains graphical compilations 

of cross sections for Ne, Ar, H2, H2O, CO2, CH4, and C3H8. 

These cross sections have not been compared to those given 

in this file.

 

M. Hayashi has prepared very extensive bibliographies of papers on 

electron collisions with Ar, H2, O2, N2, CO, H2O, halogen

molecules, hydrogen halide molecules, CO2, CH4, NH3, and PH3. Some

of these reoprts contain recommended cross sections. Available 

reports are entitled "Bibliography of electron and photon 

cross sections with atoms and molecules published in the 20th century 

- [name of gas] -", National Institute for Fusion Research, Report 

NIFS-Data Series NIFS-DATA-[??]. Unfortunately, most of these cross 

sections are not available on the Web. The Ar results are tabulated

in the accompanying file Hayashi.txt.

 

Very extensive reviews and compilations of published electron-atom 

and electron-molecule cross sections have been prepared by A. 

Zecca, G. P. Karwasz, and Brusa, Riv. Nuovo Cimento 19, No. 3, 

1-146 (1996) and G. P. Karwasz, R. S. Brusa, and A. Zecca, Riv. 

Nuovo Cimento 24, No. 1, 1-118 (2001) and No. 4, 1-101 (2001). 

Data shown are selected on the basis of  perceived quality

but no recommended values are given.  Apparently floppy disk(s?) 

giving tabulations can be purchased from the Italian Physical 

Society.  I have not seen the disks, i.e., they are too expensive.  

Unfortunately for gas discharge modeling, the data ranges in 

the review papers are limited, especially for momentum transfer 

cross sections that can differ greatly from "total" cross sections

at the higher energies. 

 

Stephen Biagi at sfb@hep.ph.liv.ac.uk has derived a sets of 

cross sections for electron collisions with ~ 50 different gases 

that are required to be consistent with electron swarm data. The ~50 

gases include: N2, O2, H20, Ar, CO2, He, Ne, H2, D2, CH4, etc.

Unfortunately, the tabulations of these cross sections are not 

available on the Web.

 

A recent review of electron-molecule collisions is 

Hotop, Ruf, Allan, and Frabrikant, "Resonances and threshold 

phenomena in low energy electron collisions with molecules and 

clusters", in Advances in Atomic, Molecular and Optical Physics,

(Elsevier, 2003) Vol. 49.

 

A review of experimental integrated and differential cross section

data for electron collisions with some diatomic molecules is 

Brunger and Buckman, Physics Reports, 357, 215 (2002).  The gases 

discussed include H2, O2, N2, the halogens,NO, CO, and halogen 

halides.  This data is tabulated in Landolt-Bornstein, Vol. 17, 

Subvol. C, pp. 35-55 (2003).  Also, Vol 17, Subvol. A is concerned

with electron and photon collisions with atoms, but I do not have 

access to this volume or its data.

 

GENERAL WARNING TO GAS DISCHARGE MODELERS:

 

IF AUTHORS DO NOT EXPLICITLY STATE THAT THERE IS AGREEMENT BETWEEN 

A) IONIZATION, EXCITATION, ATTACHMMENT (IF APPLICABLE), AND TRANSPORT 

COEFFICIENTS CALCULATED USING THEIR CROSS SECTIONS AND B) RELIABLE 

EXPERIMENTAL MEASUREMENTS OF THESE COEFFICIENTS, YOU SHOULD BE

VERY SKEPTICAL OF ALL OF THEIR CROSS SECTIONS AND OF ELECTRON 

TRANSPORT AND REACTION COEFFICIENT RESULTS DERIVED FROM THEM.  

AGREEMENT WITH SWARM EXPERIMENTS SUCH AS IONIZATION COEFFICIENT, 

DRIFT VELOCITY, THE RATIO OF THE TRANSVERSE AND LOGITUDINAL DIFFUSION 

COEFFICIENT TO MOBILITY, ATTACHMENT COEFFICIENTS, AND EXCITATION 

COEFFICIENTS ARE CRICIAL EVIDENCE OF A RELIABLE SET OF INPUT CROSS 

SECTIONS FOR MODELING.  FOR EACH GAS IN THIS FILE WE HAVE SUMMARIZED 

OUR TESTS OF THE CROSS SECTIONS AGAINST EXPERIMENTAL SWARM DATA.

 

OXYGEN - O2 - 1978

These cross sections are those developed in Lawton and Phelps, J.

Chem. Phys. 69, 1055 (1978).  The agreement of the transport 

and reaction coefficients is good and is discussed in detail 

in this paper.  Information Center Report No. 28 is based on 

the same computer files as used to assemble the following data.  

As of 9/28/01 I know of no reason to change the cross sections.

 

Note that the "cross sections" listed under the heading of 

three-body attrachment are expressed as equivalent cross 

sections at an O2 density of 1 molecule/cm3.  This means 

that the rate coefficients k and spatial attachment 

coefficients alpha/n calculated using BACKPRO must be 

multiplied by the O2 density in molecules/cm3 to obtain the 

equivalent of the two-body coefficients per molecule calculated 

for other processes, such as excitation and ionization.  

 

O2 MOMENTUM-TRANSFER CROSS SECTION

 

            ENERGY        Effective Qm - Defined in introduction

   1        0.0000        0.3500

   2        0.0010        0.3500

   3        0.0020        0.3600

   4        0.0030        0.4000

   5        0.0050        0.5000

   6        0.0070        0.5800

   7        0.0085        0.6400

   8        0.0100        0.7000

   9        0.0150        0.8700

  10        0.0200        0.9900

  11        0.0300        1.2400

  12        0.0400        1.4400

  13        0.0500        1.6000

  14        0.0700        2.1000

  15        0.1000        2.5000

  16        0.1200        2.8000

  17        0.1500        3.1000

  18        0.1700        3.3000

  19        0.2000        3.6000

  20        0.2500        4.1000

  21        0.3000        4.5000

  22        0.3500        4.7000

  23        0.4000        5.2000

  24        0.5000        5.7000

  25        0.7000        6.1000

  26        1.0000        7.2000

  27        1.2000        7.9000

  28        1.3000        7.9000

  29        1.5000        7.6000

  30        1.7000        7.3000

  31        1.9000        6.9000

  32        2.1000        6.6000

  33        2.2000        6.5000

  34        2.5000        6.1000

  35        2.8000        5.8000

  36        3.0000        5.7000

  37        3.3000        5.5000

  38        3.6000        5.4500

  39        4.0000        5.5000

  40        4.5000        5.5500

  41        5.0000        5.6000

  42        6.0000        6.0000

  43        7.0000        6.6000

  44        8.0000        7.1000

  45       10.0000        8.0000

  46       12.0000        8.5000

  47       15.0000        8.8000

  48       17.0000        8.7000

  49       20.0000        8.6000

  50       25.0000        8.2000

  51       30.0000        8.0000

  52       50.0000        7.7000

  53       75.0000        6.8000

  54      100.0000        6.5000

  55      150.0000        6.7000

  56      200.0000        6.0000

  57      300.0000        4.9000

  58      500.0000        3.6000

  59      700.0000        2.9000

  60     1000.0000        2.1200

  61     1500.0000        1.4800

  62     2000.0000        1.1400

  63     3000.0000        0.7900

  64     5000.0000        0.5100

  65     7000.0000        0.3800

  66    10000.0000        0.2800

 

O2 THREE-BODY ATTACHMENT                                                                

ENERGY LOSS =    0.000 ,   LOWER LIMIT =    0.000 ,   UPPER LIMIT =    1.058 ,   

QSCALE =     1.000000  (QSCALE USED ONLY FOR RECONSTRUCTING INPUT DATA)

 

              ENERGY     CROSS SECTION

     1        0.0000        0.0000 

     2        0.0580        0.0000            

     3        0.0730       5.6E-21           

     4        0.0830      18.0E-21          

     5        0.0890       4.2E-21            

     6        0.0950       8.4E-21            

     7        0.1030      18.0E-21            

     8        0.1090        0.0000            

     9        0.1500        0.0000            

    10        0.1700        0.0000            

    11        0.2000        0.0000            

    12        0.2100      3.56E-21            

    13        0.2300        0.0000            

    14        0.3200        0.0000            

    15        0.3300      2.30E-21            

    16        0.3500        0.0000            

    17        0.4400        0.0000            

    18        0.4500      1.45E-21            

    19        0.4700        0.0000

    20        0.5600        0.0000

    21        0.5700       1.1E-21

    22        0.5900        0.0000

    23        0.6800        0.0000

    24        0.6900       8.0E-22

    25        0.7100        0.0000

    26        0.7900        0.0000

    27        0.8000       7.0E-22

    28        0.8200        0.0000

    29        0.9000        0.0000

    30        0.9100       5.5E-22

    31        0.9300        0.0000

    32        1.0200        0.0000

    33        1.0300       4.2E-22

    34        1.0500        0.0000

    35        1.5000        0.0000

    36    10000.0000        0.0000

 

 

O2 TWO-BODY ATTACHMENT                                                                  

ENERGY LOSS =    0.000 ,   LOWER LIMIT =    0.000 ,   UPPER LIMIT =  100.001 ,   

QSCALE =     1.200000

 

              ENERGY     CROSS SECTION

     1        0.0000        0.0000            

     2        4.4000        0.0000            

     3        4.9000        0.0000            

     4        5.3800        0.0023            

     5        5.8600        0.0072            

     6        6.1000        0.0108            

     7        6.4800        0.0138            

     8        6.7700        0.0152            

     9        7.0500        0.0156            

    10        7.3000        0.0148            

    11        7.5300        0.0131

    12        7.7700        0.0110

    13        8.0000        0.0084

    14        8.2500        0.0054

    15        8.7300        0.0028

    16        9.2000        0.0014

    17        9.6800        0.0008

    18       10.1500        0.0008

    19       11.3500        0.0008

    20    10000.0000        0.0000

 

O2 SINGL LEVEL ROT PKQ FOR 300K                                                          

ENERGY LOSS =    0.020 ,   LOWER LIMIT =    0.026 ,   UPPER LIMIT =    1.677 ,   

QSCALE =     1.000000

 

              ENERGY     CROSS SECTION                  ENERGY     CROSS SECTION

     1        0.0000        0.0000            

     2        0.0067        0.0000            

     3        0.0700        0.0000            

     4        0.0800        0.0054            

     5        0.1000        0.0000            

     6        0.2000        0.0000            

     7        0.2100        0.0216            

     8        0.2200        0.0000            

     9        0.3200        0.0000            

    10        0.3300        0.0384            

    11        0.3500        0.0000            

    12        0.4400        0.0000            

    13        0.4500        0.0540            

    14        0.4700        0.0000            

    15        0.5600        0.0000            

    16        0.5700        0.0672            

    17        0.5900        0.0000            

    18        0.6800        0.0000            

    19        0.6900        0.0804            

    20        0.7100        0.0000            

    21        0.7900        0.0000            

    22        0.8000        0.0936            

    23        0.8100        0.0000            

    24        0.9000        0.0000            

    25        0.9100        0.0840

    26        0.9300        0.0000

    27        1.0200        0.0000

    28        1.0300        0.0720

    29        1.0500        0.0000

    30        1.1300        0.0000

    31        1.1400        0.0468

    32        1.1600        0.0000

    33        1.2300        0.0000

    34        1.2300        0.0600

    35        1.2600        0.0000

    36        1.3400        0.0000

    37        1.3500        0.0360

    38        1.3700        0.0000

    39        1.4400        0.0000

    40        1.4500        0.0240

    41        1.4700        0.0000

    42        1.5400        0.0000

    43        1.5500        0.0120

    44        1.5700        0.0000

    45        1.6400        0.0000

    46        1.6500        0.0048

    47        1.6700        0.0000

    48    10000.0000        0.0000

 

O2 V=1 LINDER AND SCHMIDT WITH SPLIT PK                                                 

ENERGY LOSS =    0.190 ,   LOWER LIMIT =    0.181 ,   UPPER LIMIT =    5.005 ,   

QSCALE =     2.500000

 

              ENERGY     CROSS SECTION        

     1        0.0000        0.0000            

     2        0.1900        0.0000            

     3        0.2000        0.0010            

     4        0.2100        0.0010            

     5        0.2300        0.0000            

     6        0.3200        0.0000            

     7        0.3300        0.4150            

     8        0.3500        0.0000            

     9        0.4400        0.0000            

    10        0.4500        1.3500            

    11        0.4700        0.0000            

    12        0.5600        0.0000            

    13        0.5700        1.8500            

    14        0.5900        0.0000            

    15        0.6800        0.0000            

    16        0.6900        1.6500            

    17        0.7100        0.0000            

    18        0.7900        0.0000            

    19        0.8000        1.0000            

    20        0.8200        0.0000            

    21        0.9000        0.0000            

    22        0.9100        0.6000            

    23        0.9300        0.0000            

    24        1.0200        0.0000            

    25        1.0300        0.2850

    26        1.0500        0.0000

    27        1.1300        0.0000

    28        1.1400        0.1125

    29        1.1600        0.0000

    30        1.2300        0.0000

    31        1.2400        0.0475

    32        1.2600        0.0000

    33        1.3400        0.0000

    34        1.3500        0.0165

    35        1.3700        0.0000

    36        1.4400        0.0000

    37        1.4500        0.0055

    38        1.4700        0.0000

    39        1.5400        0.0000

    40        1.5500        0.0019

    41        1.5700        0.0000

    42        1.6300        0.0000

    43        1.6500        0.0006

    44        1.6700        0.0000

    45        3.5000        0.0000

    46        4.0000        0.0000

    47        5.0000        0.0000

    48    10000.0000        0.0000

 

O2 V=2 LINDER AND SCHMIDT X2                                                            

ENERGY LOSS =    0.380 ,   LOWER LIMIT =    0.439 ,   UPPER LIMIT =    5.005 ,   

QSCALE =     1.250000

 

              ENERGY     CROSS SECTION       

     1        0.0000        0.0000            

     2        0.3800        0.0000            

     3        0.4400        0.0000            

     4        0.4500        0.0000            

     5        0.4700        0.0000            

     6        0.5600        0.0000            

     7        0.5700        0.1400            

     8        0.5900        0.0000            

     9        0.6800        0.0000            

    10        0.6900        0.4150            

    11        0.7100        0.0000            

    12        0.7900        0.0000            

    13        0.8000        0.5350            

    14        0.8200        0.0000            

    15        0.9000        0.0000            

    16        0.9100        0.4650            

    17        0.9300        0.0000            

    18        1.0200        0.0000            

    19        1.0300        0.3150            

    20        1.0500        0.0000            

    21        1.1300        0.0000            

    22        1.1400        0.2000

    23        1.1600        0.0000

    24        1.2300        0.0000

    25        1.2400        0.0950

    26        1.2600        0.0000

    27        1.3400        0.0000

    28        1.3500        0.0400

    29        1.3700        0.0000

    30        1.4400        0.0000

    31        1.4500        0.0185

    32        1.4700        0.0000

    33        1.5400        0.0000

    34        1.5500        0.0085

    35        1.5700        0.0000

    36        1.6300        0.0000

    37        1.6500        0.0034

    38        1.6700        0.0000

    39        3.5000        0.0000

    40        4.0000        0.0000

    41        5.0000        0.0000

    42    10000.0000        0.0000

...

太多啦这里放不下

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comsol部分气体碰撞界面数据(超长!)的评论 (共 条)

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