A TRANSFERABLE INTERATOMIC POTENTIAL FOR CALCIUM-CARBONATE

被引：21
|
作者：
JACKSON, RA
PRICE, GD
机构：
[1] UNIV KEELE,DEPT CHEM,KEELE ST5 5BG,STAFFS,ENGLAND
[2] UNIV LONDON UNIV COLL,DEPT GEOL SCI,LONDON WC1E 6BT,ENGLAND
来源：
MOLECULAR SIMULATION | 1992年 / 9卷 / 02期
关键词：
CALCIUM CARBONATE; CALCITE; ARAGONITE; POTENTIALS; ENERGY MINIMIZATION;
D O I：
10.1080/08927029208050610
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：
The development of an interatomic potential for calcium carbonate is described. The potential is fitted to calcite and then transferred to aragonite. The calculated structure and trend in lattice energies are both compared with experimental values.
引用
收藏
页码：175 / 177
页数：3
相关论文
共 50 条
  • [1] CALCIUM-CARBONATE
    THOMPSON, JV
    CHEMICAL & ENGINEERING NEWS, 1991, 69 (24) : 2 - 2
  • [2] POTENTIAL USE OF CATALYSTS IN THE CALCINATION OF CALCIUM-CARBONATE
    DAUGHERTY, KE
    SAFA, A
    MALLOW, W
    DZIUK, J
    AMERICAN CERAMIC SOCIETY BULLETIN, 1981, 60 (03): : 392 - 392
  • [3] CALCIUM-CARBONATE TABLETS
    NORDIN, BEC
    MEDICAL JOURNAL OF AUSTRALIA, 1988, 148 (10) : 544 - 544
  • [4] CONTACT STABILIZATION OF POTENTIAL CALCIUM-CARBONATE SCALE BY RHODOCHROSITE
    JOHNSON, KS
    DESALINATION, 1983, 48 (01) : 17 - 23
  • [5] PRECIPITATION OF CALCIUM-CARBONATE
    SOHNEL, O
    MULLIN, JW
    JOURNAL OF CRYSTAL GROWTH, 1982, 60 (02) : 239 - 250
  • [6] CALCIUM-CARBONATE TABLETS
    BEARD, TC
    MEDICAL JOURNAL OF AUSTRALIA, 1988, 149 (04) : 228 - 228
  • [7] CALCIPHYLAXIS AND CALCIUM-CARBONATE
    DIAZ, MCG
    ROBLES, NR
    ARROBAS, M
    CASADO, ES
    NEFROLOGIA, 1993, 13 (01): : 86 - 87
  • [8] CALCIUM-CARBONATE IN HYPERPHOSPHATEMIA
    MAYO, M
    MIDDLETON, RK
    DICP-THE ANNALS OF PHARMACOTHERAPY, 1991, 25 (09): : 945 - 947
  • [9] DISSOLUTION OF CALCIUM-CARBONATE TABLETS
    GORECKI, DKJ
    WALLACE, SM
    RICHARDSON, CJ
    PAVLAKIDIS, P
    CLINICAL AND INVESTIGATIVE MEDICINE-MEDECINE CLINIQUE ET EXPERIMENTALE, 1988, 11 (06): : E5 - E5
  • [10] CALCIUM-CARBONATE AS A PHOSPHATE BINDER
    ADDISON, JF
    FOULKS, CJ
    NEW ENGLAND JOURNAL OF MEDICINE, 1987, 316 (02): : 110 - 110
12345