Webb7 apr. 2009 · Working with general nonlinear models of chemical processes and assuming that there exists a Lyapunov-based controller that stabilizes the nominal closed-loop system using only the pre-existing control loops, two separate Lyapunov-based model predictive controllers are designed that coordinate their actions in an efficient fashion. Webb30 nov. 2002 · Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3═O)] were studied …
Processes Special Issue : Modeling, Simulation and …
Webb1 mars 2024 · A vast array of theoretical and computational methods have been developed to study electrochemical PCET. These methods can be used to calculate redox … WebbImportant intermolecular interaction processes involving electron transfer, energy transfer, molecular collisions, and chemical reactions take place through a close contact of molecules, since a short-range interaction, such as an exchange-interaction, is responsible for most of the above processes. grammar in a nutshell poem
Thermodynamic Models for Chemical Processes
Webb12 apr. 2024 · A novel tube-based batch model predictive control (BMPC) strategy based on a data-driven model is presented, which is inspired by the tube-based robust model predictive control (MPC) strategy. First, the dynamic behavior of the polystyrene polymerization reaction process is captured with high accuracy by establishing a just-in … Webb12 apr. 2024 · Chemical looping gasification (CLG) is an effective coal utilization technology. In this work, the CLG of bituminite was investigated through fixed-bed batch experiments using NiFe2O4 oxygen carrier (OC) to achieve high-quality syngas. The changes in the phase of the oxygen carrier during the chemical looping reaction and the … Webb28 feb. 2008 · Potential energy surfaces for the process of phosphonylation of the catalytic triad of acetylcholinesterase by sarin have been explored at the B3LYP/6-311G(d,p) level of theory through a computational study. It is concluded that the phosphonylation process involves a critical addition−elimination mechanism. The first nucleophilic addition … chin arch gen surg