Thermochemistry - Thermodynamics - Reactions - Types - Reactions- Born Haber Cycle

 The branch of science which deals with energy changes is known as      Thermodynamics .While
branch of science which deals with energy changes during chemical reaction is known as Thermochemistry.  

Bond breaking absorb energy while bond making release energy. Total energy of reactants is always different than total energy of products. The difference of energy is either absorbed or evolved during a chemical reaction, this is called heat of reaction.
Types of reaction:
         1)      Exothermic reactions 
         2)      Endothermic reactions
Exothermic reactions:
                   Reactions in which heat is evolved are known as exothermic reactions.
Total energy of products is always less than total energy of reactants. The evolved heat of reaction is indicated by –ve sign.
 C+O2 →CO2                           ∆H=-393.7kJ/mol
Endothermic reactions:
                  Reactions in which heat is absorbed during reaction are known as endothermic reactions. Total energy of products is greater than total energy of reactants, so energy required for reaction is absorbed from reactants and tempt of system fall below room tempt and it absorb energy from surrounding, and tempt again rise to room tempt.Heat absorbed is indicated by +ve sign.
H2+I2→2HI              ∆H=+52.96kJ/mol
Importance and limitation of thermo chemistry:
Thermo chemistry is based upon first law of thermodynamics. Thermo chemistry tells us about energy of system and heat content of system, which helps us to explain chemical bonding of system and chemical equilibrium. Heat of reaction is calculated only for some reactions and these are limitations of thermo chemistry.



Spontaneous and non spontaneous reactions:
    Process which takes place on its own without any external help and move from non equilibrium to equilibrium state is called spontaneous or natural process. It is unidirectional, irreversible and real process.
Example; Water flows from higher to lower level.
Some spontaneous reactions require small amount of energy to start, but once they are started, they go on by itself until complete. For example burning of coal and hydrocarbons in air. Coal does not react with air itself, but it requires spark to start reaction and when reaction is started, reaction goes to completion by  itself. Non spontaneous Reaction: A process which does not take place on its own is called   non spontaneous reaction. It does not occur in nature and is reverse of spontaneous process. Some non spontaneous process can be made spontaneous  by  continuous supply of heat from external source. For example pumping of water uphill, Transfer of heat from cold interior part of refrigerator to ho surroundings. All exothermic reactions are spontaneous because energy is evolved by products in surrounding; there are also some endothermic reactions, which are spontaneous.
System:
Any real or imaginary part of universe that is under study is called system.
Surrounding;
Everything that is not part of system is called surrounding.
Boundary:
The real or imaginary surface separating system from surrounding is called boundary.
Example:
Water contained in cup is system, cup is boundary and everything around it is surrounding.
State:
The condition of system is called state.
Let water in a container having tempt T and volume V, these are its initial states (T1) and when water is heated, its conditions changed and this are called its final state (T2).
   ∆T= T2-T1

State function:
It is macroscopic property of system which has definite values for initial and final states and it is independent of path through which change take place.
Let initial volume is V1 and its volume changes to V2 by changing T or P.
∆V=V2-V1,
V is state function since it changes upon change in T or P while ∆V is independent of path through which change takes place.





Internal energy and first law of thermodynamics;
                             It is sum of all energies of particles atoms molecules or ions within a system.
It depends upon motion of molecules translational, vibrational and rotational and their intramolecular and intermolecular forces. Total energy of system is equal to its kinetic energies of particles and potetional energy due to binding forces between particles I n form of covalent bond and van der Waals forces.
Internal energy is state function, it depends upon its initial and final state of system and not upon path through which change take place. Internal energy of system cannot be determined. Only change in internal energy can be determined.
∆E=E2-E1
Work:
         Work is form of energy and is defined as product of force and distance.
Work=Force*distance
It is denoted by w. It is not property of system. It is path system, it is not state function. System international unit of work is joule
               Sign convention for W;
                      Work done by system is negative.-w
                       Work done on system is positive.+w
1erg=10-7 J
Heat;
     It is quantity of energy that flows across boundary of system during change in state, due to difference in T between system and surrounding.
Heat lost by system is negative and heat gained by system is positive. System international unit of heat is also joule.
1cal=4.184J

First law of thermodynamics:
 Law of conservation of energy is also called first law of thermodynamics. Energy can neither be created nor destroyed during reaction but it can only be converted from one form into another. Energy of system and surrounding is conserved.
                                                  ∆E=E2-E1=q+w
Heat changes at constant volume:
At constant volume let heat supplied to system is  qv ,then first law of thermodynamics is :                                                         
                                           ∆E=qv+w         
Since w=-P∆V
                                         ∆E=qv-P∆V
Since volume is constant, therefore ∆V=0,
                                                      ∆E=qv
It means that heat exchanged at constant volume is equal to change of internal energy of system and no work is done.

 Heat change at constant pressure or Enthalpy:
                                           Enthalpy of a system is sum of its internal energy and product of pressure and volume (PV).
                 H=E+PV

It is state function. Its unit is joule.
        ∆H=qp
It means heat exchange at constant volume is equal to change in enthalpy of system.
Standard state:
             The natural physical state of substance at 25 degree centigrade and 1 atm pressure is known as standard state of substance.
For example, standard state of CO2 is gas, H2O is liquid and Fe is solid.
1)      Enthalpy of reaction ∆Hr:
                  The standard enthalpy change which occur when the number of moles of substance as indicated by chemical reaction react together to give product under standard conditions.
2)      Enthalpy of formation ∆Hf:
                   The standard change of enthalpy which occur when 1 mole of compound is formed from given reactants at standard condition.
3)      Enthalpy of atomization ∆Hat:
                     The enthalpy change which occurs when 1 mole of gaseous atoms are formed from given elements at standard conditions.
4)      Enthalpy of neutralization:
                        The enthalpy change which occurs when 1 mole of hydrogen ions from acid react with one mole of hydroxide ions from base to form one mole of water is called enthalpy of neutralizations.
5)      Enthalpy of combustion:
                       The enthalpy change which occurs when one mole of given substance burn completely in excess of oxygen under standard conditions.
6)      Enthalpy of solution :
                            The enthalpy change which occur when one mole of given substance when dissolved in solvent that further dilution result in no detectable heat change is called Enthalpy of solution.



·         Measurement of enthalpies:
1)      Bomb Calorimeter:
                                                                                   A bomb calorimeter is a type of constant-volume calorimeter used in measuring the heat of combustion of a particular reaction. Bomb calorimeters have to withstand the large pressure within the calorimeter as the reaction is being measured. Electrical energy is used to ignite the fuel; as the fuel is burning, it will heat up the surrounding air, which expands and escapes through a tube that leads the air out of the calorimeter. When the air is escaping through the copper tube it will also heat up the water outside the tube. The temperature of the water allows for calculating calorie content of the fuel.
                                   q=m*s*∆T
                                   q=c*∆T
2): Glass Calorimeter:
                                IT consists of glass, insulated with wool, and also consists of stirrer and thermometer to note temperature. Stoichiometric amount of substance is placed in it, tempt is noted before and after reaction, ∆T give change in tempt and enthalpy measurement is given by:

                                   q=m*s*∆T



Ø  HESS'S law :
                     Hess's law or Hess law states that the enthalpy or heat change accompanying a chemical reaction is independent of the pathway between the initial and final states.
In other words, if a chemical change takes place by several different routes, the overall enthalpy change is the same, regardless of the route by which the chemical change occurs (provided the initial and final condition are the same).
Addition of chemical equations leads to a net or overall equation. If enthalpy change is known for each equation, the result will be the enthalpy change for the net equation. If the net enthalpy change is negative (ΔHnet < 0), the reaction is exothermic and is more likely to be spontaneous; positive ΔH values corresponding to endothermic reactions. Entropy also plays an important role in determining spontaneity, as some reactions with a positive enthalpy change are nevertheless spontaneous.
Hess's Law states that enthalpy changes are additive. Thus the ΔH for a single reaction

Example:
 a) Cgraphite+O2 → CO2 (g) ;(ΔH = -393.5 kJ) (direct step)
b) Cgraphite+1/2 O2 → CO (g) ; (ΔH = -110.5 kJ)
c) CO (g)+1/2 O2 → CO2 (g); (ΔH = - 283.02 kJ)
→In the reactions b) and c), the total ΔH = -393.5 kJ which is equal to ΔH in a)
The difference in the value of ΔH is 0.02 kJ which is due to measurement errors.
Application of Hess’s Law:                                   
Ø  The Born Haber Cycle :
                                     The sum of energy changes for closed cyclic process is zero, if initial and final states are same. It is used to determine lattice energy of ionic crystals. The amount of energy released when one mole of gaseous ions of opposite charges combine to form crystal ionic compound.



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