Process Calculations for

Chemical Engineering
Flavio Manenti

CMIC Dept. ‘Giulio Natta’

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Reference group

http://super.chem.polimi.it

Flavio Manenti – Dipartimento CMIC “Giulio Natta”

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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
 …
• (Fundamentals of programming languages)
 (MS Visual C++)
 (BzzMath library)
• Theoretical problems
• Real problems
• Practical solutions

Flavio Manenti – Dipartimento CMIC “Giulio Natta”

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Course program
• Lectures
 Basic Concepts (Vol. 1, Ch. 1)
• Error Sources, Approximation Error, Error Propagation
• Decision-Making for an Optimal Program
 Square Linear Systems (Vol. 1, Ch. 4)
• Gauss, Alternative Methods
• Conditioning of Linear Systems
• Pivoting, Determinant, Inverse Matrix
 Structured Linear Systems (Vol. 1, Ch. 5)
• Symmetric Sparse Matrices, Band Matrices, Diagonal Block Matrices
• Foundations of Iterative Methods

 (Overdimensioned Linear Systems (Vol. 1, Ch. 6))

• (Orthogonal Matrices, QR Factorization, SVD Factorization, Null Space)
 (Underdimensioned Linear Systems (Vol. 1, Ch. 7))
• (LQ Factorization, Null Space, Concepts of Minimization)
 (Eigenvalues and Eigenvectors (Vol. 1, Ch. 8))

Flavio Manenti – Dipartimento CMIC “Giulio Natta”

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Course program
 Interpolation (Vol. 2, Ch. 1)
• Polynomial, Cubic Spline, Chebyshev
 Fundamentals of Statistics (Vol. 2, Ch. 2; Vol. 2, Ch. 3)
• Indices, concepts of data analysis, robustness
 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)
• Methods, Stiffness

 (Differential-Algebraic Equations Systems (Vol. 4, Ch. 4))

• (Multivalue methods)

Flavio Manenti – Dipartimento CMIC “Giulio Natta”

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Course plan
• Typical week
 Lectures
• Theory
• Very foundation of problem solving
 Labs
• Solution of theoretical problems
• Solution of real problems
• Implementation tricks

• Final exam
 Preliminary test?
 Written test (mandatory)
 Oral test (optional)

• Exam is only for regularly registered students

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References
• Vol. 1
 Buzzi-Ferraris, Manenti, Fundamentals and Linear Algebra for
the Chemical Engineer: Solving Numerical Problems, WILEY-
VCH, Weinheim, Germany, 2010
• Vol. 2
 Buzzi-Ferraris, Manenti, Interpolation and Regression Models
for the Chemical Engineer: Solving Numerical Problems,
WILEY-VCH, Weinheim, Germany, 2010
• Vol. 3
 Buzzi-Ferraris, Manenti, Nonlinear Systems and Optimization
for the Chemical Engineer: Solving Numerical Problems,
WILEY-VCH, Weinheim, Germany, 2013
• Vol. 4
 Buzzi-Ferraris, Manenti, Differential and Differential-Algebraic
Systems for the Chemical Engineer: Solving Numerical
Problems, WILEY-VCH, Weinheim, Germany, 2014
 http://super.chem.polimi.it/

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Flavio Manenti
Professor of Chemical Plants and Operations
POLITECNICO DI MILANO
Dipartimento di Chimica, Materiali e Ingegneria Chimica "G. Natta"
Sustainable Process Engineering Research (SuPER) team
Piazza Leonardo da Vinci, 32, 20133 Milano, ITALY
TECHNISCHE UNIVERSITAT BERLIN
Alexander von Humboldt Professor
DBTA (Dynamic und Betrieb Technischer Anlagen) Faculty
Sekt. KWT 9, Strasse des 17.Juni, 135 - D-10623 Berlin, GERMANY
(Mobile) +39.338.5665817
(Phone) +39.(0)2.2399.3273 - +49.(0)30.314.23418
(Email) flavio.manenti@polimi.it
WELCOME… - (Web) http://super.chem.polimi.it

Flavio Manenti – Dipartimento CMIC “Giulio Natta”