An additive method for calculating the thermodynamic functions of heavy feedstock
| Autor: | Kh. M. Kadiev, A. M. Gyul’maliev, N. A. Kubrin |
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| Rok vydání: | 2016 |
| Předmět: |
Chromatography
Chemistry General Chemical Engineering Enthalpy Energy Engineering and Power Technology Thermodynamics 02 engineering and technology General Chemistry Raw material 01 natural sciences Heat capacity 010406 physical chemistry 0104 chemical sciences Gibbs free energy symbols.namesake Entropy (classical thermodynamics) Fuel Technology 020401 chemical engineering Geochemistry and Petrology Elemental analysis Proton NMR symbols Molecule 0204 chemical engineering |
| Zdroj: | Petroleum Chemistry. 56:805-811 |
| ISSN: | 1555-6239 0965-5441 |
| Popis: | A uniform additive method (UAM) has been developed for calculating the thermodynamic functions heat capacity Cp(T), enthalpy ΔH(T), entropy ΔS(T), and Gibbs free energy ΔG(T) of both individual organic compounds with known molecular structure and heavy feedstock, using elemental analysis and 1H NMR data. The principle of the UAM is that a molecule or a unit mass of molecules of a mixture with a complex structure is represented as a unit mass of individual structural moieties (descriptors), which are transferable from one system to another. A comparison with the results of calculating the thermodynamic functions by other methods shows their satisfactory agreement, thereby giving promise that the UAM can be applied to complex systems. |
| Databáze: | OpenAIRE |
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