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    CHE 42 - Problem Set 1 - Phase Equilibrium

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    ROMELIE GABALLO ALBIA
    1. The document provides instructions for a problem set on phase equilibrium involving 4 problems. The first problem involves modeling a 1-hexene + n-hexane system using Raoult's Law and comparing to experimental data. The second models a methanol + ethanol system using Raoult's Law and compares to data. The third generates xy diagrams for two mixtures with different vapor pressure ratios. The fourth is a challenge problem modeling an ethanol + cyclohexane system accounting for non-ideality.

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    © All Rights Reserved
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    CHE 42 - Problem Set 1 - Phase Equilibrium

    Uploaded by

    ROMELIE GABALLO ALBIA
    45 views3 pages
    1. The document provides instructions for a problem set on phase equilibrium involving 4 problems. The first problem involves modeling a 1-hexene + n-hexane system using Raoult's Law and comparing to experimental data. The second models a methanol + ethanol system using Raoult's Law and compares to data. The third generates xy diagrams for two mixtures with different vapor pressure ratios. The fourth is a challenge problem modeling an ethanol + cyclohexane system accounting for non-ideality.

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    1. The document provides instructions for a problem set on phase equilibrium involving 4 problems. The first problem involves modeling a 1-hexene + n-hexane system using Raoult's Law and comparing to experimental data. The second models a methanol + ethanol system using Raoult's Law and compares to data. The third generates xy diagrams for two mixtures with different vapor pressure ratios. The fourth is a challenge problem modeling an ethanol + cyclohexane system accounting for non-ideality.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    45 views3 pages

    CHE 42 - Problem Set 1 - Phase Equilibrium

    Uploaded by

    ROMELIE GABALLO ALBIA
    1. The document provides instructions for a problem set on phase equilibrium involving 4 problems. The first problem involves modeling a 1-hexene + n-hexane system using Raoult's Law and comparing to experimental data. The second models a methanol + ethanol system using Raoult's Law and compares to data. The third generates xy diagrams for two mixtures with different vapor pressure ratios. The fourth is a challenge problem modeling an ethanol + cyclohexane system accounting for non-ideality.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
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    CHE 42

    Problem Set on Phase Equilibrium

    GENERAL INSTRUCTIONS: This is an individual output. You are to submit a PDF file containing the summary of your
    handwritten sample calculations showing the equations used and the calculation steps to come up with the data points
    to be plotted in the VLE diagram. You also need to include in the file the tabular results of your computations, as well
    as the VLE diagrams you have generated.
    It is expected that your VLE diagrams are presented neatly in your outputs, so please put an effort to format the
    diagrams properly in MS Excel, using proper labeling of tables and figures, and organize them in your PDF file. As for
    the handwritten sample calculations, you make take a picture of your handwritten calculations and then insert it together
    with the VLE data table and VLE diagrams.
    For the steps wherein iteration/use of Solver function is required, you may encode the necessary data or do the
    screenshots of the steps performed in MS Excel.
    I highly encourage you to make your solutions have an organized flow by putting “Step number #” on it.
    Example:
    Step 1: Collect all the necessary physico-chemical data for the design of the flash drum.
    Step 2: Compute for the permissible velocity of the drum.
    File Name Format: CHE42A_ProblemSet1_Malila.pdf
    Please keep the MS Excel file with you as I might be asking them soon. For now, just submit the PDF output.

    1. Consider the 1-hexene (1) + n-hexane (2) system at 328.15 K. Using Raoult’s Law, predict the system
    pressure and vapor-phase composition for this mixture and provide an xy diagram and Pxy diagram for this
    mixture.

    Compare the results of your modeling with the set of experimental data provided for this system which can be
    found below. Plot the data (as points) on the same plot as your model. Is this system properly modeled by
    Raoult’s Law? Why or why not?

    Table 2. Experimental data for 1-hexene (1) + n-hexane (2) system at 328.15 K
    P (kPa) 𝒙𝟏 𝒚𝟏
    64.435 0.000 0.000
    65.955 0.102 0.122
    67.368 0.200 0.233
    68.741 0.300 0.341
    70.061 0.400 0.445
    71.287 0.500 0.543
    72.434 0.600 0.639
    73.581 0.700 0.732
    74.701 0.799 0.823
    75.780 0.900 0.912
    76.780 1.000 1.000

    2. Consider the methanol (1) + ethanol (2) system at 101.325 kPa. Using Raoult’s Law, predict the system
    temperature and vapor-phase composition for this mixture. Provide an xy diagram and Txy diagram for this
    problem. Show the sample calculations (handwritten) as well as to how you come up with the equilibrium data
    produced from Raoult’s Law assumption.

    Compare the results of your modeling with the set of experimental data provided for this system which can be
    found below. Plot the data (as points) on the same plot as your model. Is this system properly modeled by
    Raoult’s Law? Why or why not?

    Table 1. Experimental data for methanol (1) + ethanol (2) system at 101.325 kPa
    T (K) 𝒙𝟏 𝒚𝟏
    351.45 0.000 0.000
    349.75 0.134 0.183
    348.15 0.242 0.326
    346.75 0.320 0.428
    345.45 0.401 0.529
    344.85 0.435 0.566
    343.15 0.542 0.676
    341.75 0.652 0.759
    340.85 0.728 0.813
    340.05 0.790 0.858
    339.75 0.814 0.875
    338.95 0.873 0.919
    338.75 0.910 0.937
    337.75 1.000 1.000

    3. Produce the xy diagram for the two groups of binary mixtures at constant temperature if the ratios of the
    vapor pressures are the following:

    Binary Mixture 1 𝑃1𝑠𝑎𝑡


    =2
    𝑃2𝑠𝑎𝑡

    Binary Mixture 2 𝑃1𝑠𝑎𝑡


    =4
    𝑃2𝑠𝑎𝑡

    Place the two xy diagrams of the two binary mixtures in one plot. Assume Raoult’s Law holds for this system
    and set the value of 𝑃1𝑠𝑎𝑡 = 1 𝑏𝑎𝑟. Which binary mixture system is easy to separate, Binary Mixture 1 or
    Binary Mixture 2? Explain.
    4. Challenge Problem. Your task is to plot constant temperature xy and Pxy diagrams for a non-ideal ethanol
    (1) + cyclohexane (2) mixture at 75˚C. Since the mixture is non-ideal, it follows the following equilibrium
    relations:

    𝑣𝑎𝑝
    𝑃𝑦1 = 𝑥1 𝛾1 𝑃1

    𝑣𝑎𝑝
    𝑃𝑦2 = 𝑥2 𝛾2 𝑃2

    𝑣𝑎𝑝 𝑣𝑎𝑝
    𝑃 = 𝑥1 𝛾1 𝑃1 + 𝑥2 𝛾2 𝑃2

    where 𝛾1 and 𝛾2 are the activity coefficients of ethyl acetate and benzene, respectively. For this problem, the
    activity coefficients can be described by the van Laar equation:

    𝛼
    ln 𝛾1 =
    𝛼 𝑥 2
    [1 + 𝛽 ∙ 𝑥1 ]
    2

    𝛽
    ln 𝛾1 =
    𝛽 𝑥 2
    [1 + 𝛼 ∙ 𝑥2 ]
    1

    The values of the van Laar parameters are 𝛼 = 2.102 and 𝛽 = 1.729.
    The vapor pressure of the two components can be determine by using Antoine equations below:

    𝑣𝑎𝑝 1670.409
    log 𝑃1 (𝑏𝑎𝑟) = 5.37229 −
    𝑇(𝐾) − 40.191

    𝑣𝑎𝑝 1203.526
    log 𝑃2 (𝑏𝑎𝑟) = 3.96988 −
    𝑇 (𝐾) − 50.287

    Source for the Antoine Equation data: Link


    Please make sure that the data written in this document is correct by re-checking the data presented in the link.
    Hints:

    • Set the values of 𝑥1 and 𝑥2 first (from 0 to 1).


    • Solve for the values of 𝛾1 and 𝛾2 for each value of 𝑥1 and 𝑥2 (since the activity coefficients are a
    function of composition)
    𝑣𝑎𝑝 𝑣𝑎𝑝
    • The values of your 𝑃1 and 𝑃2 are already fixed at all composition values since the value of
    your temperature is already fixed.
    • You can then solve for the values of 𝑦1 and 𝑦2 using the modified Raoult’s Law equation.

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