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    Homework Assignment

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    Prateek Kumar Pandey
    This document outlines homework problems involving statistical mechanics. It includes 4 main problems: 1) Applying the microcanonical ensemble to a system of identical, non-interacting balls placed in boxes. This relates to an ideal gas model. 2) Applying the canonical ensemble to a system of quantum harmonic oscillators representing vibrational motions. Expressions are derived for the partition function, free energy, internal energy, and entropy. 3) Considering a system divided into two compartments by a partition. The microcanonical partition function is derived and maximizing it with respect to partition variables relates to the second law of thermodynamics. 4) Analyzing limits of the internal energy expression, relating to eliminating springs

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    Homework Assignment

    Uploaded by

    Prateek Kumar Pandey
    20 views2 pages
    This document outlines homework problems involving statistical mechanics. It includes 4 main problems: 1) Applying the microcanonical ensemble to a system of identical, non-interacting balls placed in boxes. This relates to an ideal gas model. 2) Applying the canonical ensemble to a system of quantum harmonic oscillators representing vibrational motions. Expressions are derived for the partition function, free energy, internal energy, and entropy. 3) Considering a system divided into two compartments by a partition. The microcanonical partition function is derived and maximizing it with respect to partition variables relates to the second law of thermodynamics. 4) Analyzing limits of the internal energy expression, relating to eliminating springs

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    HW3

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    This document outlines homework problems involving statistical mechanics. It includes 4 main problems: 1) Applying the microcanonical ensemble to a system of identical, non-interacting balls placed in boxes. This relates to an ideal gas model. 2) Applying the canonical ensemble to a system of quantum harmonic oscillators representing vibrational motions. Expressions are derived for the partition function, free energy, internal energy, and entropy. 3) Considering a system divided into two compartments by a partition. The microcanonical partition function is derived and maximizing it with respect to partition variables relates to the second law of thermodynamics. 4) Analyzing limits of the internal energy expression, relating to eliminating springs

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    20 views2 pages

    Homework Assignment

    Uploaded by

    Prateek Kumar Pandey
    This document outlines homework problems involving statistical mechanics. It includes 4 main problems: 1) Applying the microcanonical ensemble to a system of identical, non-interacting balls placed in boxes. This relates to an ideal gas model. 2) Applying the canonical ensemble to a system of quantum harmonic oscillators representing vibrational motions. Expressions are derived for the partition function, free energy, internal energy, and entropy. 3) Considering a system divided into two compartments by a partition. The microcanonical partition function is derived and maximizing it with respect to partition variables relates to the second law of thermodynamics. 4) Analyzing limits of the internal energy expression, relating to eliminating springs

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    © All Rights Reserved
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    of 2

    ChE665A: 2023 Spring Semester 1

    Homework Assignment 3

    Homework Assignment

    1. Introduction to Modern Statistical Mechanics”, David Chandler, Oxford University Press, Sep 1987.

    (a) [10 points] Problem 3.16

    2. “Statistical Mechanics”, Donald A. McQuarrie, University Science Books, June 2000, 2nd Edition,
    ISBN-13: 978-1-891389-15-3.

    (a) [10 points] Problem 1.8


    (b) [10 points] Problem 1.13

    3. Application of Micro-canonical Ensemble


    Consider a 3d-dimensional box which is partitioned into M cubes each having a volume ∆v. The
    total volume of the box is, therefore, V = M ∆v. Assume that you have N identical and non-
    interacting balls placed in M boxes.
    MN
    (a) Show that the micro-canonical partition function is given by Ω = N! .
    (b) Using Stirling’s approximation, derive a relation for entropy, S(M, N ) , and confirm that it is
    extensive.
    (c) Show that this model corresponds to an ideal gas.
    (d) Now suppose we divide the box into two compartments using a plane board, such that N1 =
    f N (balls in first compartment) and M1 = gM (balls in second compartment). Here f and g are
    numbers between 0 and 1. For this system compute the show that the microcanonical partition
    function is:
           
    gM (1 − g)M
    ln Ω(N, M ; f, g) = f N ln + 1 + (1 − f )N ln +1 (1)
    fN (1 − f )N

    (e) Now try maximizing Ω with respect to partition variables f and g, i.e. apply second law of
    thermodynamics. You need to obtain an expression for f /g such that macroscopic state of the
    system would not change on lifting the partition. Explain the meaning of f /g.

    4. Application of Canonical Ensemble In this problem we will consider a harmonic oscillator which
    a representative model for vibrational motions. The total energy of N identical and independent,
    quantum-mechanical harmonic oscillators is given by:
    N  
    X 1
    E(n1 , n2 , . . . , nN ) = ~ω nj + , (2)
    2
    i=1
    p
    where ω = k/m is fundamental vibrational frequency of each oscillator, k is the force constant
    and m is the reduced vibrational mass. Now, we will clamp each oscillator to a point in space such
    that they are arranged to form a simple solid which is known as Einstein model.

    (a) You are required to show that the canonical partition function Q(N, T ) for the assembly of these
    N oscillators at temperature T , is given by:

    Q(N, T ) = [q(T )]N , where (3)


     
    1
    q(T ) = (4)
    exp(β~ω/2) − exp(−β~ω/2)

    Note that macroscopic volume V is absent from these formulae because there is no translational
    motion of these oscillators.
    ChE665A: 2023 Spring Semester 2

    (b) Now derive the Helmoltz free energy of A, the internal energy (hU i), and the entropy S for this
    system. You should be able to get this as functions of N and T . Confirm the extensivity of these
    variables.
    (c) Show that as T → 0, A and hU i → N ~ω/2 and S → 0. Explain whether this is makes physical
    sense or not. In particular, if Si0, what about the system becomes completely organized?
    (d) Now consider hU i in the limit β~ω → 0: show that in this limit hU i → N kB T . There could be
    two interpretations of this: a) ω → 0 which means we are eliminating each spring, or b) β → 0
    which means we are considering the classical limit of the harmonic oscillator. Show that with
    both interpretations the result hU i → N kB T makes good sense.

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