Windows-based guided data capture software for mass-scale thermophysical and thermochemical property data collection

被引:34
作者
Diky, VV [1 ]
Chirico, RD [1 ]
Wilhoit, RC [1 ]
Dong, Q [1 ]
Frenkel, M [1 ]
机构
[1] Natl Inst Stand & Technol, Thermodynam Res Ctr, Boulder, CO 80305 USA
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2003年 / 43卷 / 01期
关键词
D O I
10.1021/ci025534t
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Guided data capture software (GDC) is described for mass-scale abstraction from the literature of experimental thermophysical and thermochemical property data for organic chemical systems involving one, two, and three components, chemical reactions, and chemical equilibria, Property values are captured with a strictly hierarchical system based upon rigorous application of the thermodynamic constraints of the Gibbs phase rule with full traceability to source documents. Key features of the program and its adherence to scientific principles are described with particular emphasis on data-quality issues, both in terms of data accuracy and database integrity.
引用
收藏
页码:15 / 24
页数:10
相关论文
共 8 条
  • [1] DIKY VV, UNPUB
  • [2] Data quality assurance for thermophysical property databases - Applications to the TRC SOURCE data system
    Dong, Q
    Yan, XJ
    Wilhoit, RC
    Hong, XG
    Chirico, RD
    Diky, VV
    Frenkel, M
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2002, 42 (03): : 473 - 480
  • [3] TRC SOURCE database: A unique tool for automatic production of data compilations
    Frenkel, M
    Dong, Q
    Wilhoit, RC
    Hall, KR
    [J]. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2001, 22 (01) : 215 - 226
  • [4] Marsh KN, 2001, J CHEM ENG DATA, V46, P1
  • [5] Chemical markup, XML, and the Worldwide Web. 1. Basic principles
    Murray-Rust, P
    Rzepa, HS
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1999, 39 (06): : 928 - 942
  • [6] *THERM RES CTR NAT, 2002, TRC THERM TABL HYDR
  • [7] Future directions for data compilations
    Wilhoit, RC
    Marsh, KN
    [J]. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1999, 20 (01) : 247 - 255
  • [8] Window-based applications of TRC databases: Structure and Internet distribution
    Yan, X
    Dong, Q
    Frenkel, M
    Hall, KR
    [J]. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2001, 22 (01) : 227 - 241