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10.08 - Concepts for Generalized Phase Equilibria Click here. 100 1

When expressing the derivative of the total Gibbs energy by chain rule, there is one particular partial derivative that relates to each component in the mixture: the "chemical potential." By adapting the derivation from Chapter 9 of the equilibrium constraint for pure fluids, we can show that the equilibrium constraint for mixtures is that the chemical potential of each component in each phase must be equal. That is fine mathematically but it is not very intuitive. By translating the chemical potential into a rigorous definition of fugacity of a component in a mixture, we recognize that an equivalent equilibrium constraint is that the fugacity of each component in each phase must be equal. (8min, Live, uakron.edu) This offers the intuitive perspective of, say, molecules from the liquid escaping to the vapor and molecules from the vapor escaping to the liquid; when the "escaping tendencies" are equal, the phases experience no net change and we call that equilibrium. 

14.10 Solid-liquid Equilibria Click here. 100 2

Solid-liquid Equilibria using Excel (7:38min, msu)

The strategy for solving SLE is discussed and an example generating a couple points from Figure 14.12 of the text are performed. Most of the concepts are not unique to UNIFAC or Excel. This screeencast shows how to use the solver tool to find solubility at at given temperature.

10.08 - Concepts for Generalized Phase Equilibria Click here. 100 1

Concepts for General Phase Equilibria (12:33) (msu.edu)

The calculus used in Chapter 6 needs to be generalized to add composition dependence. Also, we introduce partial molar properties and composition derivatives that are not partial molar properties. We introduce chemical potential These concepts are used to show that the chemical potentials and component fugacities are used as criteria for phase equilibria.

17.07 - Temperature Dependence of Ka Click here. 100 2

Example 17.4 and 17.5 solved using Kcalc.xlsx (6:01) (msu.edu)

The full form of the temperature dependence of Ka is implemented in Kcalc.xlsx and Kcalc.m. This screecast covers the use of Kcalc.xlsx for Example 17.4 and Example 17.5 of the textbook.

Comprehension Questions:

1. CO and H2 are fed in a 2:1 ratio to a reactor at 500K and 20 bars with a catalyst that favors only CH3OH as its product. Calculate ΔGRº and ΔHRº.
2. CO and H2 are fed in a 1:1 ratio to a reactor at 500K and 20 bars with a catalyst that favors only CH3OH as its product. Calculate ΔGRº and ΔHRº.
3. CO and H2 are fed in a 1:1 ratio to a reactor at 600K and 20 bars with a catalyst that favors only CH3OH as its product. Calculate ΔGRº and ΔHRº.
4. CO and H2 are fed in a 1:1 ratio to a reactor at 500K and 20 bars with a catalyst that favors only CH3OH as its product. Calculate ΔGTº and ΔHTº. Check your answer for ΔGTº using the value given for Ka in Example 17.1.
5. CO and H2 are fed in a 1:1 ratio to a reactor at 600K and 10 bars with a catalyst that favors only CH3OH as its product. Calculate Ka, ΔGTº and ΔHTº.
6. CH3OH is fed to a reactor at 200ºC and 1 bar with a catalyst that produces CO and H2. Calculate Ka, ΔGTº and ΔHTº for this reaction and compare to the literature values given in Example 17.6 of Section 17.10.
7. CH3OH is fed to a reactor at 300ºC and 1 bar with a catalyst that produces CO and H2. Calculate Ka for this reaction and compare to the value given in Example 17.6 of Section 17.10. Give two reasons why the two estimates are not identical.




01.6 Summary Click here. 100 1

The objectives for Chapter 1 were:

1. Explain the definitions and relations between temperature, molecular kinetic energy,
molecular potential energy and macroscopic internal energy, including the role of intermolecular potential energy and how it is modeled. Explain why the ideal gas internal energy
depends only on temperature.
2. Explain the molecular origin of pressure.
3. Apply the vocabulary of thermodynamics with words such as the following: work, quality,
interpolation, sink/reservoir, absolute temperature, open/closed system, intensive/extensive
property, subcooled, saturated, superheated.
4. Explain the advantages and limitations of the ideal gas model.
5. Sketch and interpret paths on a P-Vdiagram.
6. Perform steam table computations like quality determination, double interpolation.

To these, we could add expressing and explaining the first and second laws. Make a quick list of these expressions and explanations in your own words, including cartoons or illustrations as you see fit,  starting with the first and second laws.

14.09 - Numerical procedures for binary, ternary LLE Click here. 100 1

LLE Calculations: UNIFAC from Actcoeff.xlsx Calculation of LLE. (5 min) (LearnChemE.com)
See also - Supplement on Iteration of LLE with Excel and Matlab. Hints on converging LLE using Excel with the method presented in the textbook. For details, see

17.07 - Temperature Dependence of Ka Click here. 100 2

You can customize Kcalc.xlsx (uakron.edu, 17min) to facilitate whatever calculations you may need to perform. This presentation shows how to implement VLOOKUP to automatically load the relevant Hf, Gf, and Cp values. It also shows how to automatically use the Cp/R value when a,b,c,d values for Cp are not available. Finally, it shows how a fairly general table of inlet flows, temperatures, and pressures can be used to set up the equilibrium conversion calculation. The initial set up is demonstrated for the dimethyl ether process, then revised to initiate solution of Example 17.9 for ammonia synthesis.

Comprehension Questions:

1. The video shows how the shortcut Van't Hof equation can be written as lnKa=A+B/T. What are the values of A and B for the dimethyl ether process when a reference temperature of 633K is used?
2. The video shows how the shortcut Van't Hof equation can be written as lnKa=A+B/T. What are the values of A and B for the ammonia synthesis process when a reference temperature of 600K is used?

10.02 - Vapor-Liquid Equilibrium (VLE) Calculations Click here. 100 2

VLE Routines - General Strategies (4:49) (msu.edu)

Deciding which routine to use is more challenging than it appears. Also understanding the strategy used to solve the problems is extremely helpful in being able to develop the equations to solve instead of trying to memorize them.

14.09 - Numerical procedures for binary, ternary LLE Click here. 100 1

LLE flash using Matlab/Chap14/LLEflash.m (5:54) (msu.edu)

An overview of the LLE flash routine in Matlab, including an overview of the program logic and then an example of how to run the program.

See also - Supplement on Iteration of LLE with Excel and Matlab.

17.06 Determining the Spontaneity of Reactions Click here. 100 1

Which way will a reaction go? (3:40) (msu.edu)

When both reactants and products are present in a reactng mixture, the direction the reaction will proceed is not necessarily indicated by the sign of ΔGo or Ka. Rather, it is determined by ΔG. This screencasts provides guidance for understanding this concept.

Comprehension Questions: (Hint: review Example 17.1 before answering.)

1. CO and H2 are fed in a 2:1 ratio to a reactor at 500K and 20 bars with a catalyst that favors only CH3OH as its product. When the conversion of H2 is 32%, will the reaction go forwards towards product or back to reactants?
2. CO and H2 are fed in a 2:1 ratio to a reactor at 500K and 20 bars with a catalyst that favors only CH3OH as its product. When the conversion of CO is 52%, will the reaction go forwards towards product or back to reactants?
3. CO and H2 are fed in a 1:1 ratio to a reactor at 500K and 20 bars with a catalyst that favors only CH3OH as its product. When the conversion of H2 is 42%, will the reaction go forwards towards product or back to reactants?
4. CO and H2 are fed in a 1:1 ratio to a reactor at 500K and 20 bars with a catalyst that favors only CH3OH as its product. When the conversion of H2 is 42%, will the reaction go forwards towards product or back to reactants?

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