ChemE Scientific Computing Portfolio: CHEME 375
Portfolio Repository
CHEME 375 focuses on translating chemical engineering problems to numerical scientific computing problems that can be readily solved using python’s scipy module. The portfolio is available here:
https://github.com/tengjuilin/cheme-sci-computing
I hope this could be a great reference for chemical engineering related problem solving that requires large amount of computations and visualizations.
Topics
Scientific computing makes use of python scipy library, with topics of
- curve fitting
- solving linear systems
- solving nonlinear systems
- solving systems of ODEs
- solving time-independent PDEs
- solving time-dependent PDEs
Chemical engineering applications include
- balancing chemical equations
- solving binary vapor-liquid equilibrium (VLE) problems
- plotting VLE x/y, Txy diagrams
- determining Antoine’s coefficients
- solving recycle streams
- solving chemical kinetics
- solving time-independent 2D heat transfer
- solving time-dependent 1D heat transfer
Course Description
Use Excel, Matlab, and AspenPlus to solve typical chemical engineering problems. Solve realistic problems and explore alternatives that would be inaccessible for hand calculations. Includes equations of state, chemical equilibrium of simultaneous reactions, phase equilibria, plug flow reactors, heat transfer in 1-D, and time-dependent heat transfer.
作品集发布
CHEME 375 侧重于将化学工程问题转化为科学计算的数值问题，这些问题可以通过 Python 的 scipy 模组轻松解决。该作品集发布于此：
https://github.com/tengjuilin/cheme-sci-computing
希望他可以成为解决需要大量计算和可视化的化学工程问题的便利参考。
主题
科学计算使用了 Python 的 scipy 库，主题包括
- 曲线拟合
- 求解线性系统
- 求解非线性系统
- 求解常微分方程组
- 求解非时变偏微分方程
- 求解时变偏微分方程
化学工程的应用包括
- 平衡化学方程
- 解决二元汽液平衡（VLE）问题
- 绘制汽液平衡 x/y, Txy 图
- 确定 Antoine 系数
- 求解循环流
- 求解化学动力学问题
- 求解非时变二维传热
- 求解时变一维传热
课程描述
使用 Excel、Matlab 和 AspenPlus 来解决经典的化学工程问题。使用电脑编程解决手动计算无法求解的问题。包括状态方程、同时反应的化学平衡、相平衡、塞流反应器、一维传热和随时间变化的传热。
附录
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