ACCURATE INTER-MOLECULAR POTENTIAL FOR HELIUM

被引:791
作者
AZIZ, RA
NAIN, VPS
CARLEY, JS
TAYLOR, WL
MCCONVILLE, GT
机构
[1] MONSANTO RES CORP,MOUND LAB,MIAMISBURG,OH 45342
[2] GUELPH WATERLOO CTR GRAD WORK CHEM,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
关键词
D O I
10.1063/1.438007
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A simple realistic and precise empirical intermolecular potential is proposed for helium. It possesses nearly the correct Hartree-Fock repulsion as well as the correct long range behavior. It was fitted to recent accurate intermediate temperature second virial coefficients and thermal conductivity data as well as high temperature viscosity values. It is able to predict second virial coefficients over an extended temperature range from 1.5 to 1475 K. Above 100 K it reproduces substantially all of the transport properties to within experimental error in a manner superior to all other potentials in existence. Below 100 K where the transport data are less reliable, it produces a good representation of the isotopic differences in the viscosity. It also predicts differential cross sections reasonably well. In spite of a few remaining discrepancies, when all the different macroscopic properties are considered, the potential produces the best representation of the helium interaction available at this time. © 1979 American Institute of Physics.
引用
收藏
页码:4330 / 4342
页数:13
相关论文
共 88 条
[1]   INTERMOLECULAR FORCES IN SIMPLE SYSTEMS [J].
AHLRICHS, R ;
PENCO, R ;
SCOLES, G .
CHEMICAL PHYSICS, 1977, 19 (02) :119-130
[2]   SCATTERING OF HIGH-VELOCITY NEUTRAL PARTICLES .2. HELIUM HELIUM [J].
AMDUR, I ;
HARKNESS, AL .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (04) :664-669
[3]   NEW REALISTIC POTENTIAL FOR NEON BASED ON DILUTE GAS BULK PROPERTIES [J].
AZIZ, RA .
CHEMICAL PHYSICS LETTERS, 1976, 40 (01) :57-60
[4]   NEW POTENTIAL FITTING PROCEDURE WITH APPLICATION TO AR-AR [J].
AZIZ, RA .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :490-492
[5]   A NEW INTERATOMIC POTENTIAL FUNCTION FOR HELIUM [J].
BECK, DE .
MOLECULAR PHYSICS, 1968, 14 (04) :311-&
[6]   INTERATOMIC POTENTIALS FOR HELIUM AND MOLECULES OF HELIUM ISOTOPES [J].
BECK, DE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :541-&
[7]  
BECK DE, 1968, MOL PHYS, V15, P332
[8]   DIE ZAHIGKEIT VON GASFORMIGEM HE-3 UND HE-4 ZWISCHEN 1,3-DEGREES-K UND 4,2-DEGREES-K - ZUR QUANTENSTATISTIK DES GASKINETISCHEN ZUSAMMENSTOSSES BEI TIEFEN TEMPERATUREN [J].
BECKER, EW ;
MISENTA, R ;
SCHMEISSNER, F .
ZEITSCHRIFT FUR PHYSIK, 1954, 137 (01) :126-136
[9]   DIE ZAHIGKEIT VON HD UND HE-3 ZWISCHEN 14-DEGREES-K UND 20-DEGREES-K [J].
BECKER, EW ;
MISENTA, R .
ZEITSCHRIFT FUR PHYSIK, 1955, 140 (05) :535-539
[10]   MEASUREMENTS OF HE-3-HE-4 AND H-2-D2 GAS DIFFUSION COEFFICIENTS [J].
BENDT, PJ .
PHYSICAL REVIEW, 1958, 110 (01) :85-89