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Showing posts with label Chemical Engineering. Show all posts
Showing posts with label Chemical Engineering. Show all posts

Wednesday, September 12, 2012

Process Dynamics and Control PPT SLIDES

Process Dynamics and Control
Instructor: Seborg
Textbook:Process Dynamics and Control third Edition ,Seborg,Edgar,Mellichamp,doyle
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Slides



Topics


Chapter 1Introduction
 Feedback control
Chapter 2Mathematical modeling
 Dynamic responses
Chapter 3Laplace transforms
Chapter 4Transfer functions
 First order systems
Chapter 5Second order systems
Chapter 6Complex processes
Chapter 7Fitting models to data
 Fitting models to data
Chapter 8PID controllers
Chapter 9Instrumentation and valves
Chapter 10
Chapter 11Closed loop transfer function
 Block diagrams, Stability
Chapter 12Control loop analysis
 Chapter 13Overview of control system
Chapter 14Frequency response
Chapter 15Ratio control
 Feedforward control
 Air Heater Demonstration
Chapter 16Advanced control strategies
 Chapter 17Advanced control strategies
Chapter 18Multivariable control
 Multivariable control
Chapter 19Real-time optimization
Chapter 20Modeel predictive Control
 Chapter 21Process monitoring
Chapter 22Batch Processing
Chapter 23Biosystem control design
Chapter 24Dynamics and Control of Biological system
Appendix A
AMD process control
Air Liquide Slides

Monday, September 10, 2012

Ab Initio Molecular Dynamics Simulation Methods in Chemistry PDF LECTURE SLIDES

Ab Initio Molecular Dynamics Simulation Methods in Chemistry

Instructor: Stefano Baroni
Textbook: Ab Initio Molecular Dynamics Simulation Methods in Chemistry
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Density-functional pertubation theory [pdf]

Molecular structure and dynamics with DFT [pdf]

Computer simulation of thermally activated processes [pdf]

Structural Optimization [pdf]

PWSCF First Examples [pdf]

Rare Events [pdf]

Ab Initio Molecular Dynamics: Part One [pdf]

Ab Initio Molecular Dynamics: Part Two [pdf]

Solution of the Electronic Schroedinger Equation

Using Basis Sets to Solve the Hartree-Fock-Equations [pdf]

Using Basis Sets to Solve the Electronic Schrodinger Equation with Electron Correlation [pdf]

Exercise: Systematic Improvement of Basic Sets [pdf]

Lab: Quantum Chemistry with GAMESS [pdf]

GAMESS and MACMOLPLT [pdf ,ppt]

Lab: macmolplt.tar.gz [.gz]

Lab: README.MacMolPlt [txt

Introduction into DFTB [pdf]

Introduction into DFTB [pdf]

Introduction into DFTB [pdf]

Approximate methods for large molecular systems [ppt]

DFT and VdV interactions [ppt]

QM/MM Calculations and Applications to Biophysics [ppt

Quantum Monte Carlo Methods [pdf]

Quantum Monte Carlo Methods: recent developments and applications [pdf]

Quantum Monte Carlo lab notes [pdf]

Conical Intersections [pdf, ppt]

Electronic Structure for Excited States [pdf, ppt]

Lab: Multi-reference [pdf, doc]

Introduction to Car-Parrinello Ab Initio MD [pdf]

Equations of Motion and Numerical Integration [pdf]

Equilibrium Statistical Mechanics [pdf]

Lecture Notes: Introduction to AIMD Simulations [pdf]

ADMP: Theory and Applications [ppt]

ADMP [ppt]

See also: ADMP and ONIOM (Gaussian.com)

 

Ab Initio Multiple Spawning Dynamics [pdf]

Ab Initio Quantum Molecular Dynamics [pdf]

Insights for Light-Driven Molecular Devices from Ab Initio Multiple Spawning Excited-State Dynamics of Organic and Biological Chromophores [pdf]

Introduction to Full Multiple Spawning using MOPAC [pdf

Reactive Empirical Force Fields [pdf, ppt]

Lab: deformation of nanoscale materials [pdf]

Molecular dynamics modeling of thermal and mechanical properties [pdf, ppt]

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