CHAPTER 18:  CHEMICAL THERMODYNAMICS - Lecture 1

HEAT CHANGES AND THERMOCHEMISTRY:

Energy is the capacity to do work or to transfer heat.
Remember, that HEAT is transferred, NOT cold !

2 general kinds of energy: KINETIC & POTENTIAL.

KINETIC = energy of motion.  Ex.:  car moving at 60 mph.
               Ekinetic  = 1/2 mv2, where m = mass of car
                                              and v = velocity

POTENTIAL = energy due to position or composition.
      Ex.:  water held behind a dam.  When we release the
      water, the potential energy is converted into kinetic
      energy as the water runs downhill.

Chemical energy comes from the POTENTIAL ENERGY
    stored in the atoms and molecules due to their
    arrangements.

When chemicals react and release their potential energy
    in the form of heat, then these reactions are
   EXOTHERMIC.

Ex.:  C8H18(l) + O2(g) ---->  CO2(g)  + H2O(l) +  J (heat)
        (not balanced!!!)

        C9H20(l) + O2(g) ---->  CO2(g)  + H2O(l) +  J (heat)

In both of these reactions, the total amount of energy in
    the products is less than the total amount of energy in
    the reactants (therefore, heat is RELEASED in the
    reaction = EXOTHERMIC).

**Show Potential Energy diagram vs. Progress of Reaction
     for both EXOthermic and ENDOthermic reactions.

Also, when there are phase changes, energy is either
    released or required - to allow the phase change to occur.
    Ex.:  When you boil water to produce steam, you GIVE
    energy to the water; you heat it.  Vice-versa, when
    steam condenses to form water, it GIVES off energy
    as it condenses.  Or, you take heat away from water
    to form ice.
 

Examples:   1) ammonium nitrate dissolving in water:  
                         spontaneous and ENDOthermic!
                    2) water(s) = ice   ===> water(l) is
                         spontaneous and ENDOthermic!
                    3)  acid + base ==> salt + water:
                          EXOthermic and spontaneous!

 
BOTTOM LINE::  DH is NOT the predictor of spontaneity
                            of a reaction.


There are 3 laws of thermodynamics:

1-  The total amount of energy in the universe is constant.
     OR:  Energy is neither created nor destroyed in ordinary
             chemical reactions and physical changes, but only
             converted from one form to another (Law of
             Conservation of Energy).   REMEMBER  DHo


2-  In spontaneous changes, the entropy of the universe
      increases, and in an equilibrium process, the entropy
      of the universe remains unchanged.  
Entropy is a
      measure of the randomness or the disorder of a
      system.   Particles in the solid state are MORE ordered
      than particles in the liquid state which are more
      ordered than particles in the vapor state
      (EX.:  water!!).

      Standard entropy = DSo is the entropy of substance
            at 1 atm and 25
oC.  Elements do have DSo, in units
            of J/K or J/K-mol.

       Positive value of DSo means MORE disorder, and
            vice-versa!!


3-  The entropy of a hypothetical pure, perfect, crystalline

      substance at absolute zero (0 Kelvin) is zero.
 
 

DEFINITIONS:
  SYSTEM: all the substances involved in the chemical &
                 physical changes that we are studying. DSsys

  SURROUNDINGS:  everything in the system's
                                 environment.  
DSsurr

  UNIVERSE:  the SYSTEM plus its SURROUNDINGS.
                                  DSuniv


    DSuniv  = DSsys  +  DSsurr


Changes are described as:  D
            D  (ANYTHING) = ANYTHINGfinal - ANYTHINGinitial

ENTHALPY CHANGES:  The quantity of heat transferred
into or out of a system when it undergoes a chemical or
physical change at constant pressure, qp, is called the
enthalpy change, DH, of the process, OR,
                    "heat of reaction".

        DH = Hfinal - Hinitial
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
We know how to find  DH for a reaction. 

When EXOthermic process occurs in a system, heat is
transferred to the surroundings, with a concurrent
increase in the disorder of the surroundings at the
molecular level, and the entropy of surroundings
increases.  

Vice-versa, ENDOthermic process, heat is absorbed BY
the system from the surr., and the entropy of the surr.
decreases.

Therefore,  DSsurr  =  -DHsys 

where +DS means more entropy and -DH means
release of heat.

Since it is more difficult to release heat from a system
to the surr. at higher T, then we want to rewrite the
equation above to be:

                            DSsurr  =  -DHsys/T

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Look at  N2(g) + 3H2(g) ----> 2NH3(g)     DHo = -92.6 kJ


Calc DSo = 2DS
o(NH3) - [DSo(N2) + 3DSo(H2)]
                = (2 mol)(193J/K-mol) -
                        [(1mol)(192J/K-mol)+(3mol)(131J/J-mol)]

                = -199 J/K   Therefore, this is DSsys

    DSsurr  =  -DHsys/T  =  -(-92,600 J)/298K = 311 J/K


Therefore:  
    DSuniv  = DSsys  +  DSsurr

                            DSuniv  = -199 J/K + 311 J/K =  112 J/K

We predict that the reaction is spontaneous at 25oC.

---------------------------------------------------------------

How do we find  DSo for a reaction?

DSoreaction = Sum[nDSo(prods)] - Sum[mDSo(reacts)]

If a reaction produces more gas molecules than were as
reactants,
DSo is positive = more disorder; and vice-versa

If no net change in # molecules of gas, then DSo may
be + or -, but will be small numerically.

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STANDARD STATES & STANDARD ENTHALPY CHANGES:

a) For a pure liquid or solid, the standard state IS the pure
    liquid or solid.
b) For a gas, the standard state IS the gas at 1 atm.; in gas
     mixtures, its partial pressure must be 1 atm.
c) For solutions, the standard state is 1 M concentration.

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Spontaneous Processes:
Occur without outside intervention, e.g., drop two eggs...
        they break!
   The reverse process is non-spontaneous.
The direction of a spontaneous process can depend on
        temperature.
     Ice turning to water is spontaneous at T > 0°C.
     Water turning to ice is spontaneous at T < 0°C.

Allowing 1 mol of ice to warm up is an irreversible process.


To get the reverse process to occur, the water temperature

        must be lowered to 0°C (heat must be removed).
In any spontaneous process, the path between reactants
    and products is irreversible, unless outside intervention
    occurs.
E.g., water can be frozen...then thawed by adding heat.

Thermodynamics gives us the direction of a process, but

    not the speed at which it will occur (this latter is
    KINETICS).

   How can endothermic reactions be spontaneous?
 

Entropy and the Second Law of Thermodynamics:
Consider an initial state: two flasks connected by a closed
    stopcock.  One flask is evacuated and the other contains
    1 atm. of a gas.  Then open the stopcock....The final
    state: two flasks connected by an open stopcock.

    Each flask contains the gas at 0.5 atm.  The expansion
    of the gas is isothermal (i.e., constant temperature).
    Therefore, the gas does NO work and heat is not
    transferred.

    Why does a gas expand?

ENTROPY!  S:  is a measure of the disorder of a system.
    The bigger the disorder.....bigger entropy.
            More order.....lower entropy (ice is more ordered
            than water, which is more ordered than steam).

 Spontaneous reactions proceed to lower energy or
              higher entropy.

    In the connected flasks, is it more likely that all the gas
    molecules stay in one flask or that they spread out
    randomly to fill both flasks?  The molecules are more
    likely to fill both flasks, and the system has moved to a
    state of higher entropy.

What about thawing ice?
    In ice, the molecules are very well ordered because of
    the H-bonds throughout the system (and the molecules
    of water are in fixed positions); therefore, ice has a low
    entropy.  As ice melts, the intermolecular forces are
    broken (which requires energy), but the order is
    interrupted, so entropy increases.  Water is more random
    than ice, so ice spontaneously melts at room
    temperature.  There is always a balance between energy
    and entropy considerations.
 

    Generally, an increase in entropy in one process is
    associated with a decrease in entropy in another; the
    increase in entropy usually dominates.
 

Entropy is a state function:  A state function is one in which
the value depends only on the state of the system, and NOT
how they got there.  Ex.:  P, V, T, DH, DS.

For a system, DS = Sfinal - Sinitial
If DS > 0, the randomness increases (less order);
            if  DS < 0, the order increases.

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