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|11.02 - Calculations with Activity Coefficients||Click here.||100||3||
Bubble Temperature (2:43) (msu.edu)
The culmination of the activity coefficient method is application of the fitted activity coefficients to extrapolate from limited experiments in a Stage III calculation. The bubble temperature is the easiest after bubble pressure. The recommended order of study is 1) Bubble Pressure; 2) Bubble Temperature; 3) Dew Pressure; 4) Dew Temperature. Note that an entire Txy diagram can be generated with bubble temperature calculations; no dew calculations are required.
|01.5 Real Fluids and Tabulated Properties||Click here.||100||2||
Double interpolation (uakron, 8min) is exactly what it sounds like: to find a steam property when neither the pressure nor temperature are among the tabulated values, you need to interpolate twice. We interpolate first on pressure, then on temperature. It is a bit tedious, but straightforward.
|13.04 - UNIQUAC||Click here.||100||2||
Group contributions are used widely in property prediction. The volumes and surface areas have been determined by x-ray data and high-temperature collision data. The UNIQUAC and UNIFAC activity coefficient methods use these quantities to calculation volume fractions and surface area fractions. The assignment of functional groups for a molecule must be done carefully to assure agreement with the groups used by the model developers.
1. Estimate R and Q for 1,4 dihydroxy benzene.
2. Estimate R and Q for n-propyl alcohol and compare them to the values for IPA.
3. Estimate R and Q for methyl-npropyl ketone.
|12.04 - The Flory-Huggins Model||Click here.||100||2||
The Flory and Flory-Huggins Models (7:05) (msu.edu)
Flory recognized the importance of molecular size on entropy, and the Flory equation is an important building block for many equations in Chapter 13. Flory introduced the importance of free volume. The Flory-Huggins model combines the Flory equation with the Scatchard-Hildebrand model using the degree of polymerization and the parameter χ. The Flory-Huggins model is used widely in the polymer industry.
Assume δP=δS for polystyrene, where δS is the solubility parameter for styrene. Also, polystyrene typically has a molecular weight of about 15,000. Room temperature is 25°C.
1. Estimate the infinite dilution activity coefficient of styrene in polystyrene.
|10.01 - Introduction to Phase Diagrams||Click here.||96||5||
Introduction to Phase Behavior (9:37) (msu.edu)
1. Referring to the Txy diagram on slide 3, estimate T, nature (ie. L,V, V+L, L+L), composition(s), and amount of the phase(s) for points: a, b. d, g.
|11.02 - Calculations with Activity Coefficients||Click here.||96||5||
Dew Temperature (7:57) (msu.edu)
The culmination of the activity coefficient method is application of the fitted activity coefficients to extrapolate from limited experiments in a Stage III calculation. The recommended order of study is 1) Bubble Pressure; 2) Bubble Temperature; 3) Dew Pressure; 4) Dew Temperature. Note that an entire Txy diagram can be generated with bubble temperature calculations; no dew calculations are required. However, many applications require dew calculations, so they cannot be avoided. The dew calculations are more complicated than bubble calculations, because the liquid activity coefficients are not known until the unknown liquid mole fractions are found. This screencast describes the procedure and how to implement the method in Matlab or Excel.
|14.10 Solid-liquid Equilibria||Click here.||93.3333||3||
SLE using Excel with the M1 model (7min, uakron.edu)
Similar to LLE in Excel, the iteration feature can be used to quickly solve for SLE at multiple temperatures.
|07.06 Solving The Cubic EOS for Z||Click here.||93.3333||3||
1. Peng-Robinson PVT Properties - Excel (3:30) (msu.edu)
Introduction to PVT calculations using the Peng-Robinson workbook Preos.xlsx. Includes hints on changing the fluid and determining stable roots.
1. At 180K, what value of pressure gives you the minimum value for Z of methane? Hint: don't call solver.
2. At 30 bar, what value of pressure gives Z=0.95 for methane?
3. Compute the molar volume(s) (cm3/mol) for argon at 100K for each of the following?
|07.09 -The Molecular Basis of Equations of State: Concepts and Notation||Click here.||93.3333||3||
Nature of Molecular Interactions - Macro To Nano(8min). (uakron.edu) Instead of matching the critical point, we can use experimental data for density vs. temperature from NIST as a means of characterizing the attractive energy and repulsive volume. A plot of compressibility factor vs. reciprocal temperature exhibits fairly linear behavior in the liquid region. Matching the slope and intercept of this line characterizes two parameters. This characterization may be even more useful than using the critical point if you are more interested in liquid densities than the critical point. In a similar manner, you could derive an EOS based on square-well (SW) simulations and use the SW EOS to match the NIST data(11min), as shown in this sample calculation of the ε and σ values for the SW potential. In this lesson, we learn how to characterize the forces between individual atoms, which may seem quite unreal or impractical when you first encounter it. On the other hand, "nanotechnology" is a scientific discipline that explores how the manipulation of nanostructure is now quite real with very significant practical implications. "The world's smallest movie" shows dancing molecules, (IBM, 2min) demonstrating the reality of molecular manipulation, and the accompanying text explains some of the practical implications. Along similar lines, researchers at LLNL and CalTech have developed 3D printers that can display "voxels" (the 3D analog of pixels) of ~1nm3. That's around 10-100 atoms per voxel. Since 2013-14, chemical/materials engineers have been building nanostructures (TEDX, 13min) in the same way that civil engineers build infrastructure.
|08.08 - Reference States||Click here.||90||2||
Departure Functions: PREOS.xls Compressor and OVC Design (11min) (uakron.edu) Redesign the ordinary vapor compression cycle (OVC) using propane as discussed in Chapter 5, this time applying PREOS.xls instead of the chart. In this sample calculation, the cycle operates from -100F in the evaporator with a compressor that takes the saturated vapor from the evaporator to 10 bars and 180F. With this procedure, applying PREOS.xls could be adapted to any compound in the database, not just propane. So PREOS.xls represents the equivalent of charts for roughly 200 compounds, and that's just what it can do for pure fluids.