Lemont B. Kier, Virginia Commonwealth University, Richmond, VA, USA / Paul G. Seybold, Virginia Commonwealth University,Richmond, Virginia, USA and Department of Chemistry, Wright State University, Dayton, OH, USA / Chao-Kun Cheng, Virginia Commonwealth University, Richmond, VA, USA
Inhaltsangabe
Preface.- Modeling Nature: The System. States of the System. Models in Chemistry.- Cellular Automata: What are Cellular Automata. The Grid and the Cells. The Rules. Running a Simulation. The Output. Putting it all Together. Applications.- Water as a System: Experimental Design. The Movement Rules. The Attributes Recorded. Other Liquids. Applications.- Solution Systems: The Rules. Applications.- Dynamic Aqueous Systems: Oil-Water Demixing. Micelle Formation. Crystal Formation. Percolation.- Water Surface Effects: Water-Surface Encounters. Chromatography. Membrane Permeability.- First Order Chemical Kinetics: Exponential Decay. First Order Equilibrium. Series Reactions. Parallel Reactions. Kinetic and Thermodynamic Reaction Control.- Second Order Chemical Kinetics: Second Order Models.- Additional Applications in Chemical Kinetics: Enzyme Kinetics. Liquid-Vapor Equilibrium.- Use of the CASim Program: The System and Program. Organization of the CA Program. Setting up a Simulation.- Index.- CD-ROM included.
Preface.- Modeling Nature: The System. States of the System. Models in Chemistry.- Cellular Automata: What are Cellular Automata. The Grid and the Cells. The Rules. Running a Simulation. The Output. Putting it all Together. Applications.- Water as a System: Experimental Design. The Movement Rules. The Attributes Recorded. Other Liquids. Applications.- Solution Systems: The Rules. Applications.- Dynamic Aqueous Systems: Oil-Water Demixing. Micelle Formation. Crystal Formation. Percolation.- Water Surface Effects: Water-Surface Encounters. Chromatography. Membrane Permeability.- First Order Chemical Kinetics: Exponential Decay. First Order Equilibrium. Series Reactions. Parallel Reactions. Kinetic and Thermodynamic Reaction Control.- Second Order Chemical Kinetics: Second Order Models.- Additional Applications in Chemical Kinetics: Enzyme Kinetics. Liquid-Vapor Equilibrium.- Use of the CASim Program: The System and Program. Organization of the CA Program. Setting up a Simulation.- Index.- CD-ROM included.
Rezensionen
From the reviews: "...The patterns that CA's produce often resemble experimental results to a remarkable degree. [...] The method has advantages in speed, visualization, transparency, and predictability over more traditional methods of modeling and simulation where complicated and challenging equations may be required." (Undergraduate Projects in Application of Artificial Intellegence. III. Cellular Automata. Cartwright & Yiasoumis. Chemical Educator 2001, 6)
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