Computational Thermodynamic Calculations: FactSage from CALPHAD Thermodynamic Database to Virtual Process Simulation
نویسندگان
چکیده
منابع مشابه
Thermodynamic Simulation of Deoxyoligonucleotide
Nearly every model of DNA computation proposed to date depends upon sequence-speciic hybridization operations. In order to better predict the binding speciicity of arbitrary deoxyoligonucleotides, a simulator named bind is implemented. Bind operates on a single template DNA sequence and a number of shorter primer sequences. For each primer sequence, bind calculates a theoretical melting tempera...
متن کاملThermodynamic consistency for nuclear matter calculations
We investigate the relation between the binding energy and the Fermi energy and between different expressions for the pressure in cold nuclear matter. For a self-consistent calculation based on a Φ derivable T−matrix approximation with off-shell propagators the thermodynamic relations are well satisfied unlike for a G−matrix or a T−matrix approach using quasi-particle propagators in the ladder ...
متن کاملComputational Techniques and Strategies for Monte Carlo Thermodynamic Calculations, with Applications to Nanoclusters
Robert Q. Topper, David L. Freeman, Denise Bergin, and Keirnan R. LaMarche Department of Chemistry, The Cooper Union for the Advancement of Science and Art, 51 Astor Place, New York, New York 10003, and Department of Chemistry, University of Rhode Island, Kingston, Rhode Island 02881 Present address: Department of Chemistry, Medical Technology, andPhysics,MonmouthUniversity,WestLongBranch, NewJ...
متن کاملThermodynamic simulation and pinch analysis of KCS11
In this study, a reputable Kalina cycle system, KCS 11, is simulated and analysed. Within this efficient cycle, there are three heat exchangers: the first heat exchanger is designated for heat absorption from the heat source, the second heat exchanger is designed for heat release to the cold source, and the third heat exchanger is designed for energy recovery. In order to achieve precise si...
متن کاملThermodynamic Simulation of Gas Carburizing of Steels
Simulation of metallurgical processes has been the subject of intense research due to the reduced number of experiments required for controlling the process as well as time and energy savings it allows. In gas carburizing of steel parts, the amount of carbon at the surface of carburized parts is the most important specification of the process in terms of achieving the desired metallurgica...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Metallurgical and Materials Transactions B
سال: 2020
ISSN: 1073-5615,1543-1916
DOI: 10.1007/s11663-020-01908-7