热化学
师(数学)
计算机科学
相(物质)
热力学
数学
化学
算术
物理
有机化学
作者
Bo Sundman,Bo Jansson,Jan-Olof Andersson
标识
DOI:10.1016/0364-5916(85)90021-5
摘要
A description is given of Thermo-Calc, a databank for thermochemistry and metallurgy developed at the division of Physical Metallurgy of the Royal Institute of Technology (KTH) in Stockholm. Using the facilities of Thermo-Calc one can tabulate thermodynamic data, calculate the heat change of chemical reactions and their driving force, evaluate equilibria for chemical systems and phase transformations and calculate various types of multicomponent phase diagrams by an automatic mapping procedure. The databank is quite general and can be applied to all systems where data assessed by a model implemented in the databank are available. The assessment procedure necessary to develop and extend the the databank is discussed. A brief description of the modules of Thermo-Calc is given and two examples are included which demonstrate how flexibly the calculations can be made. These examples will also show that the system is quite easy to use and that there are extensive on-line help facilities.
科研通智能强力驱动
Strongly Powered by AbleSci AI