Process Calculations for Chemical Engineering

Process Calculations for
Chemical Engineering
Flavio Manenti
CMIC Dept. ‘Giulio Natta’
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Contacts
• Flavio Manenti
Alexander von Humboldt Professor of Chemical Plants and Operations
POLITECNICO DI MILANO
Dipartimento di Chimica, Materiali e Ingegneria Chimica "Giulio Natta"
SuPER (Sustainable Process Engineering Research) Team
Piazza Leonardo da Vinci, 32 - I-20133 Milano, ITALY
TECHNISCHE UNIVERSITAT BERLIN
DBTA (Dynamic und Betrieb Technischer Anlagen) Faculty
Sekt. KWT 9, Strasse des 17.Juni, 135 - D-10623 Berlin, GERMANY
Phone IT +39.(0)2.2399.3273 - DE +49 (0)30 314 26905
Fax
IT +39.(0)2.2399.3280
Email
flavio.manenti@polimi.it
Web
http://super.chem.polimi.it
Excellence Cluster: www.reinforce.polimi.it
Students: Wednesday 10:15 – 11:15 (please, ask via email for)
MSc and PhD students and visiting: no limitations
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
People
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Staff:
• Claudia Bianchi, Giulia Bozzano, Flavio Manenti, Sauro Pierucci, Carlo Pirola
• Guido Buzzi Ferraris
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Collaborators:
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André Furtado Amaral, Brazil-Italy, Coal/biomass Gassification
Andrea Bassani, Italy, Sulfur Recovery Units
Lorenzo Cabianca, Belgium-Italy, Multiobjective Optimization
Michele Corbetta, Italy-USA, Biorefineries
Andres Ricardo Garzon-Leon, Colombia-Italy, Polymer Science
Ergys Pahija, Hong Kong, 3rd generation biorefinery
Davide Papasidero, Italy-The Netherlands, Food Engineering
Francesco Rossi, Italy-USA, Process Optimization
Mattia Vallerio, Belgium, Optimal Control
Sergei Mikhalevitz, Russian Fed., Process Control
Eva M. Speelmanns, Germany, catalytic Reactors
Sandra Fillinger, Germany, MOSAIC platform
Industrial Consultants:
• Maria Grazia Grottoli, Lucio Molinari
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Students: 16 ongoing thesis projects
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
Goal of the course
• Use of foundations of numerical analysis
• Solve common problems of chemical engineering
• Examples:
Linear systems  overall mass balances
 Root-finding  Bubble temperature
 Optimization  Process yield
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• Use of programming languages
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MS Visual C++
• Use of numerical libraries
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BzzMath library
• Map 2014
• Practical solutions
• Real problems
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
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Course program
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• Lectures
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Basic Concepts (V1C1)
• Error Sources, Approximation Error, Error Propagation
• Decision-Making for an Optimal Program
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Square Linear Systems (V1C4)
• Gauss, Alternative Methods
• Conditioning of Linear Systems
• Pivoting, Determinant, Inverse Matrix
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Structured Linear Systems (V1C5)
• Symmetric Sparse Matrices, Band Matrices, Diagonal Block Matrices
• Foundations of Iterative Methods
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Overdimensioned Linear Systems (V1C6)
• Orthogonal Matrices, QR Factorization, SVD Factorization, Null Space
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Underdimensioned Linear Systems (V1C7)
• LQ Factorization, Null Space, Concepts of Minimization
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Eigenvalues and Eigenvectors (V1C8)
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
Course program
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Interpolation (V2C1)
• Polynomial, Cubic Spline, Chebyshev
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Fundamentals of Statistics (V2C2, V2C3)
• Indices, concepts of data analysis, robustness
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Function Root-finding (V3C1)
• Bolzano, Newton, Secants, Regula Falsi…
• Basic for Zero-Crossing Problems
One-dimensional Optimization (V3C2)
 Definite Integrals (V4C1)
 Ordinary Differential Equations (ODEs) Systems (V4C2)
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• Methods, Stiffness
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Differential-Algebraic Equations Systems (V4C4)
• Multivalue methods
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
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Course plan
• Week 1 – Week 3
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Theory and practice in MS Visual C++
• Week 4 – Week 12
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Lectures
• Theory
• Very foundation of programming
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Labs
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Library use
Solution of real problems
Implementation tricks
Code debugging
• Final exam
Preliminary test
 Practical test (mandatory)
 Oral test (optional)
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Flavio Manenti – Dipartimento CMIC “Giulio Natta”
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References
• Vol. 1
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Buzzi-Ferraris, Manenti, Fundamentals and Linear Algebra for
the Chemical Engineer: Solving Numerical Problems, WILEYVCH, Weinheim, Germany, 2010
• Vol. 2
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Buzzi-Ferraris, Manenti, Interpolation and Regression Models
for the Chemical Engineer: Solving Numerical Problems,
WILEY-VCH, Weinheim, Germany, 2010
• Vol. 3
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Buzzi-Ferraris, Manenti, Nonlinear Systems and Optimization
for the Chemical Engineer: Solving Numerical Problems,
WILEY-VCH, Weinheim, Germany, 2013
• Vol. 4
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Buzzi-Ferraris, Manenti, Differential and Differential-Algebraic
Systems for the Chemical Engineer: Solving Numerical
Problems, WILEY-VCH, Weinheim, Germany, 2014
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http://super.chem.polimi.it
Flavio Manenti – Dipartimento CMIC “Giulio Natta”

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