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"
Centre for SuPER (Sustainable Process Engineering Research)
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 23418
Fax
IT +39.(0)2.2399.3280
Email
[email protected]
http://super.chem.polimi.it
Web
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, Laura Piazza, Sauro Pierucci,
Carlo Pirola – Guido Buzzi Ferraris, Eliseo Ranzi
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Collaborators:
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André Furtado Amaral, Brazil-Italy, Biorefinery (Plant)
Andrea Bassani, Italy, Sulfur & Coal Gasification (Process)
Lorenzo Cabianca, Belgium-Italy, Biomass gasification (Numerics)
Michele Corbetta, Italy-USA, Biorefinery downstream (Process)
Andres Ricardo Garzon-Leon, Colombia-Italy, Polymer Science (Kinetics)
Ergys Pahija, Hong Kong, Biorefinery (Plant)
Davide Papasidero, Italy-The Netherlands, Food Engineering (Kinetics)
Francesco Rossi, Italy-USA, Optimization (Process)
Mattia Vallerio, Belgium, Optimal Control (Process)
Anton Ochoa-Bike, Russian Fed., Nuclear (Process)
Zhaoli Zhang, China, Solar (Plant)
Muhammad Rizwan, South Korea (Plant)
Industrial Consultants:
• Maria Grazia Grottoli, Lucio Molinari
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Students: 22 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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• (Fundamentals of programming languages)
(MS Visual C++)
 (BzzMath library)
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• Theoretical problems
• Real problems
• Practical solutions
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
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Course program
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• Lectures
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Basic Concepts (Vol. 1, Ch. 1)
• Error Sources, Approximation Error, Error Propagation
• Decision-Making for an Optimal Program
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Square Linear Systems (Vol. 1, Ch. 4)
• Gauss, Alternative Methods
• Conditioning of Linear Systems
• Pivoting, Determinant, Inverse Matrix
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Structured Linear Systems (Vol. 1, Ch. 5)
• Symmetric Sparse Matrices, Band Matrices, Diagonal Block Matrices
• Foundations of Iterative Methods
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(Overdimensioned Linear Systems (Vol. 1, Ch. 6))
• (Orthogonal Matrices, QR Factorization, SVD Factorization, Null Space)
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(Underdimensioned Linear Systems (Vol. 1, Ch. 7))
• (LQ Factorization, Null Space, Concepts of Minimization)
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(Eigenvalues and Eigenvectors (Vol. 1, Ch. 8))
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
Course program
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Interpolation (Vol. 2, Ch. 1)
• Polynomial, Cubic Spline, Chebyshev
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Fundamentals of Statistics (Vol. 2, Ch. 2; Vol. 2, Ch. 3)
• Indices, concepts of data analysis, robustness
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Function Root-finding (Vol. 3, Ch. 1)
• Bolzano, Newton, Secants, Regula Falsi…
• Basic for Zero-Crossing Problems
One-dimensional Optimization (Vol. 3, Ch. 2)
 Definite Integrals (Vol. 4, Ch. 1)
 Ordinary Differential Equations (ODEs) Systems (Vol. 4, Ch. 2)
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• Methods, Stiffness
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(Differential-Algebraic Equations Systems (Vol. 4, Ch. 4))
• (Multivalue methods)
Flavio Manenti – Dipartimento CMIC “Giulio Natta”
Course plan
• Week 1 – Week 2
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Theory
• Week 3 – Week 12
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Lectures
• Theory
• Very foundation of problem solving
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Labs
• Solution of theoretical problems
• Solution of real problems
• Implementation tricks
• Final exam
Preliminary test
 Written 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”