A comparative analysis of empirical equations describing pressure dependence of equilibrium and reaction rate constants
| Autor: | Noham Weinberg, Jacob Spooner |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Empirical equations
Chemistry Organic Chemistry Thermodynamics 02 engineering and technology General Chemistry Pressure dependence 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Catalysis 0104 chemical sciences Reaction rate 0210 nano-technology Equilibrium constant Analytic function |
| Zdroj: | Canadian Journal of Chemistry. 95:149-161 |
| ISSN: | 1480-3291 0008-4042 |
| DOI: | 10.1139/cjc-2016-0454 |
| Popis: | General properties of the empirical analytical functions used to describe the effect of pressure on rate and equilibrium constants in solution are reviewed, and the effects of experimental errors on the accuracy of activation and reaction volumes predicted by these equations are compared. When the error levels are low (1%–2%) and pressure ranges are small (0–1 kbar), all functions perform well, but when fitting data with high error or extending to higher pressures, special care must be taken to obtain reliable results. Analysis of the results from fitting the equations to simulated data, as well as experimental data for Diels–Alder, Menshutkin, and methanolysis reactions, allows us to propose a set of general recommendations when using these equations as a tool for obtaining accurate activation and reaction volumes. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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