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
  • [41] LOCALIZATION OF SILICA AND CALCIUM-CARBONATE IN PLANTS
    DAYANANDAN, P
    SCANNING ELECTRON MICROSCOPY, 1983, : 1519 - 1524
  • [42] USE OF PRECIPITATED CALCIUM-CARBONATE IN PAPERMAKING
    MALMSTROM, O
    DAHLBERG, K
    PAPERI JA PUU-PAPER AND TIMBER, 1990, 72 (04): : 371 - 373
  • [43] NATURAL CALCIUM-CARBONATE FOR ALKALINE PAPER
    HAGEMEYER, RW
    WELCH, LJ
    TAPPI, 1981, 64 (05): : 97 - 100
  • [44] CALCIUM-CARBONATE SATURATION OF SEVAN WATERS
    ALEKIN, OA
    MELNICHUK, VI
    ULIANOVA, DL
    DOKLADY AKADEMII NAUK SSSR, 1984, 274 (04): : 913 - 916
  • [45] ELECTRIC SURFACE CHARACTERISTICS OF CALCIUM-CARBONATE
    KHOMICHAK, LM
    OLYANSKAYA, SP
    ARSHIPOVICH, NA
    ALEKSEEV, OL
    IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII PISHCHEVAYA TEKHNOLOGIYA, 1983, (03): : 25 - 27
  • [46] INFLUENCE OF CALCIUM-CARBONATE ON THE TOUGHNESS OF POLYPROPYLENE
    NEZBEDOVA, E
    PONESICKY, J
    SOVA, M
    ACTA POLYMERICA, 1990, 41 (01) : 36 - 42
  • [47] NATURAL CALCIUM-CARBONATE AS POLYMER FILLER
    SCHLUMPF, HP
    BILOGAN, W
    KUNSTSTOFFE-GERMAN PLASTICS, 1983, 73 (06): : 315 - 318
  • [48] CALCIUM-CARBONATE SOURCE ROCKS IN ZIMBABWE
    BARBER, B
    FERTILIZER RESEARCH, 1991, 30 (2-3): : 245 - 245
  • [49] EFFECT OF GLYCOURSODEOXYCHOLATE ON PRECIPITATION OF CALCIUM-CARBONATE
    MARTEAU, C
    PORTUGAL, H
    PAULI, AM
    GEROLAMI, A
    HEPATOLOGY, 1985, 5 (06) : 1209 - 1212
  • [50] THE REACTION OF HYDROXYLAMMONIUM PERCHLORATE WITH CALCIUM-CARBONATE
    GRIGOROVICH, ZI
    LYUBIMOVA, GN
    ZHURNAL NEORGANICHESKOI KHIMII, 1981, 26 (09): : 2564 - 2567
12345