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An example of a one-pot synthesis is the total synthesis of tropinone or the Gassman indole synthesis. Sequential one-pot syntheses can be used to generate even complex targets with multiple stereocentres , such as oseltamivir , [ 1 ] which may significantly shorten the number of steps required overall and have important commercial implications.
In computational chemistry, a solvent model is a computational method that accounts for the behavior of solvated condensed phases. [1] [2] [3] Solvent models enable simulations and thermodynamic calculations applicable to reactions and processes which take place in solution.
The laminar finite rate model computes the chemical source terms using the Arrhenius expressions and ignores turbulence fluctuations. This model provides with the exact solution for laminar flames but gives inaccurate solution for turbulent flames, in which turbulence highly affects the chemistry reaction rates, due to highly non-linear Arrhenius chemical kinetics.
Dynamic simulation is an extension of steady-state process simulation whereby time-dependence is built into the models via derivative terms i.e. accumulation of mass and energy. The advent of dynamic simulation means that the time-dependent description, prediction and control of real processes in real time has become possible. This includes the ...
The COCO Simulator is a free-of-charge, non-commercial, graphical, modular and CAPE-OPEN compliant, steady-state, sequential simulation process modeling environment. It was originally intended as a test environment for CAPE-OPEN modeling tools but now provides free chemical process simulation for students.
This poses a problem in ground water remediation, because the chemical must be able to mix with water to remove the contaminant. Fortunately, ozone (O 3) is about 12 times more soluble than O 2 [5] and, although it is still comparably insoluble, it is a strong oxidant. [3] The unique part of ozone oxidation is its in-situ application.
The name change from in situ to operando for the research field of spectroscopy of catalysts under working conditions was proposed at the Lunteren congress. [ 3 ] The analytical principle of measuring the structure, property and function of a material, a component disassembled or as part of a device simultaneously under operation conditions is ...
The in situ in ISCR is just Latin for "in place", signifying that ISCR is a chemical reduction reaction that occurs at the site of the contamination. Like ISCO, it is able to decontaminate many compounds, and, in theory, ISCR could be more effective in ground water remediation than ISCO.