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UW CHEME 375 and applications in CHEME 310, 326. Chemical engineering scientific computing and numerical methods. Topics include curve fitting, balancing chemical equations, solving VLE problems, plotting VLE x/y and Txy diagrams, determining Antoine's coefficients, chemical kinetics, and time-dependent and -independent heat transfer.

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Chemical Engineering Scientific Computing

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CHEME 375 covers Excel, Python, and ASPEN skills needed for chemical engineering applications. Applied scientific computing and numerical methods are covered. Taken in Sp21 with Professor Jim Pfaendtner.

Optimization

Topic ChemE Applications Python Skills Jupyter
Notebook
Online
Curve fitting Fitting experimental data to functional forms (e.g. Clausius-Clapeyron equation) scipy.optimize.curve_fit()
scipy.optimize.minimize()
ipynb html
Solving linear systems Balancing chemical equations scipy.linalg.inv()
scipy.linalg.solve()
ipynb html
Solving nonlinear systems Solving binary vapor liquid equilibrium (VLE) problems scipy.optimize.fsolve() ipynb html

Differential Equations

Topic ChemE Applications Python Skills Jupyter
Notebook
Online
Solving systems of ODEs Chemical kinetics of one reaction and reaction networks Euler's method
scipy.integrate.solve_ivp()
ipynb html
Solving time-independent PDEs Time-independent 2D heat transfer of thin metal slab scipy.linalg.solve() ipynb html
Solving time-dependent PDEs Time-dependent 1D heat transfer of thin rod Finite difference method ipynb html

Applications

ChemE Applications Python Skills Jupyter
Notebook
Online
Solving recycle streams scipy.linalg.solve() ipynb html
Constructing VLE diagram using Raoult's law scipy.optimize.fsolve() ipynb html
Determining equilibrium compositions using equation of state (EOS) methods numpy.polynomial
.polynomial.polyroots()
ipynb html
Constructing VLE diagram using equation of state (EOS) methods numpy.polynomial
.polynomial.polyroots()
ipynb html
Determining Antoine's coefficients scipy.optimize.fsolve() ipynb html

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UW CHEME 375 and applications in CHEME 310, 326. Chemical engineering scientific computing and numerical methods. Topics include curve fitting, balancing chemical equations, solving VLE problems, plotting VLE x/y and Txy diagrams, determining Antoine's coefficients, chemical kinetics, and time-dependent and -independent heat transfer.

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