Applied Chemistry for Computer Science & Engineering stream Dr. S. K.

Revathi

MODULE 4: Polymers and Green Fuels

1.Define number average and weight average molecular weight. A polydisperse sample of
polystyrene is prepared by mixing three monodisperse samples in the following
proportions. 1g of 10000 molecular weight, 2g of 50000 molecular weight and 2g of 100000
molecular weight. Determine number average and weight average molecular weight.
Find the index of polydispersity the polymer, and comment on it.
Number-Average Molecular mass ''The number average molecular mass is defined as
the total weight of all the molecules in a polymer sample divided by the total number of
molecules in a polymer sample''.

The number average molecular weight is therefore given by:

Mn 
 NiMi
 Ni
Number average molecular mass Mn = N1M1 + N2M2 +………. NiMi / N1 + N2 + ………Ni

Weight-Average Molecular Weight

"Weight-average molecular weight is the ratio of sum of the products of total mass of
molecules and their respective molecular masses to total mass of all the molecules of a
polymer system".

Weight average molecular mass is sum of product of total weight (W) and molecular
mass (M) all the molecules divided by the total weight of all the molecules (NM).

Mw 
 Ni Mi 2

 Ni Mi
N M  N2M 2  N3M 3
2 2 2

MW  1 1
N1 M 1  N 2 M 2  N 3 M 3

2. What are conducting polymers and give one example. Explain the preparation,
properties, and applications of polyacetylene
"Organic polymers with highly de-localized π-electrons having electrical conductance of the order of
conductors are called as inherently or intrinsically conducting polymers or synthetic metals."OR
"The organic polymers having conjugated double and single bond alternatively when doped with
oxidizing or reducing agents or protonic acids conducts electricity are called as intrinsically
conducting polymers".

Example: Poly acetylene, poly pyrrole etc

Synthesis of Polyacetylene
It is synthesized by passing Acetylene gas through heptane or hexadecane / toluene inert
solvent in presence of Ziegler-Natta Catalyst. On polymerization, polyacetylene solid film
is formed at the gas - liquid interface.

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The cis-polyacetylene forms at lower temperature (-78°C). Isomerization of cis -polyacetylene

to more stable trans- polyacetylene at temperature of above145oC.

Properties of Trans -polyacetylene

 Trans -poly acetylene is thermodynamically more stable
 It is obtained in powder, gel or film form is cross-linked, insoluble and intractable and
possess high porosity.
 It has no defined melting point.
 Sensitive to air , moisture and sun light.
 Light in weight and flexible.
 It is a semiconductor at room temperature with band gap of 1.5eV.

It becomes an organic metal (metallic type of conductor) when doped with electron
acceptors with conductivity of 103 Sm-1( oxidative). It can also be doped with electron
donors (reductive).
 Doped derivatives of PA are ionic compounds .

Applications Of Trans polyacetylene:

 Used as light weight electrodes for rechargeable batteries.
 Conducting films and powders.
 Corrosion resistance paints and antistatic coatings.
 Used in gas sensors as film membranes for gas separations and thermal sensors
 Used in information storage devices and actuators.
 Compact capacitors.
 Antistatic substances for photographic films .
 In electronics -LEDs , data storage , light emitting wall papers and mobile.
 As conductive tracks on printed circuit boards.
 Used in water purification devices as Ion exchange membranes and biosensors.
3.Discuss the conduction mechanism in Polyacetylene through oxidative and reductive
doping technique.
Conduction Mechanism in Polyacetylene
Doping techniques:
The conjugated organic polymers in pure state are semi-conductors. The pi-electrons are
normally localized and do not take part in conductivity. But, these electrons delocalize on
doping and conduct electricity.
The conducting polymers are synthesized by doping, in which charged species are
introduced in the organic polymers having pi-back bone. The important doping techniques
are
1. Oxidative doping (p-doping)
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2. Reductive doping (n-doping)

1. Oxidative doping (p-doping): In this process, pi-back bone of a polymer is partially
oxidized using a suitable oxidizing agent or electron deficient species (Lewis acids) . This
creates positively charged sites on polymer back bone, which are current carriers for
conduction.
Example : Iodine vapor, Iodine in CCl4, HBF4, SbF5 or AsF5 , perchloric acid, aluminum
chloride. and benzo quinone .
polymer + Lewis acid → p-type Doped polymer (Oxidation of polymer)
(CH)x + 2FeCl3 →{ (CH)x}+ {FeCl4}- + FeCl2
Polyacetylene
(CH)x + 3I2 →2{ (CH)x}+ I3 -

 p-doping is an oxidation process in which holes(+ve) are created in the polyacetylene by

removing the electron from the valence band on treating with Lewis acid like I2 or Br2
 In first step PA is treated with iodine vapours at room temperature as a result an electron is
removed and radical cation that is positive polaron is formed.
 In the second step further oxidation with I2 loses another electron forms bipolaron.
 On radical recombination gives Soliton band. The delocalisation of positive charges causes
electrical conduction.

2. Reductive doping (n-doping): In n-doping, pi-back bone of a polymer is partially reduced

by a suitable reducing agent or electron rich species (Lewis bases) . This creates negatively
charged sites on polymer backbone. These negatively charged sites are responsible for the
conduction.
+ -
Example: Lewis bases- solution of sodium - Naphthalide ( Na C10H8 ) and potassium-
+ -
Naphathalide (K C10H8 ) in tetra hydro furan.
Polymer + Lewis Base → n-type Doped polymer(Reduction polymer)
+ -
(CH)x + Na C H →(CH)x - Na+ + Napthalene
10 8

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 In this mechanism also, the first step is the formation of polaron, in the second step, bipolaron
is formed.
 This can be accomplished by doping the poly acetylene with solution of alkali naphthalide in
tetra hydro furan.
 When PA is treated with sodium naphthalite i.e.when polyacetylene is n- doped
reduction takes place in this process electrons are added to the conduction band of
polyacetylene as a result negative polaron and dianion are formed.
 These charge sites on the polymer chains are compensated by cations (Na+ ions)
formed by thereducing agent.

I Reduction
Na-Naphthalide
- e-, + Na+

Na+
II Reduction
- e-, + Na+

Na+

Recombination of radicals
Na+

Na+

Reactions of n- doping of polyacetylene

Polaron stage : After first oxidation or reduction the polymer looses or gain one electron
(neutral polymer with half spin) .
Bipolaron stage: After second oxidation or reduction the polymer looses or gains 2 electrons
( acquires positive or negative charge).
Soliton stage : Soliton band is formed in between the valence and the conduction band that
facilitate easy conduction
Upon doping polarons and Solitons are formed which results in the creation of new localized
electronic states that fill the energy gap between VB and CB. When sufficient solitons are
formed, new mid gap energy band created which overlaps with valence and conduction
bands allowing electrons to flow

4.Explain the preparation, properties, and commercial applications of graphene oxide.

" GO is a monolayer sheet of graphite containing hydroxyl, carboxyl, and epoxy oxygen
2 3
groups on its basal plane and edges, resulting in a mixture of sp and sp hybridized
carbon atoms."
Synthesis of Graphene oxide by Hummers Method: Method involves the oxidation of
graphite by water-free mixture of concentrated sulfuric acid, sodium nitrate and potassium
permanganate. The entire process requires less than two hours for completion at < 45 ℃ .
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Synthesis of GO from graphite involves two steps.

1. Oxidation of graphite to graphite oxide
2. The exfoliation of graphite oxide into GO.
Procedure:
1) 100 g. of powdered graphite flake + 50 g. of sodium nitrate + 2.3 litres of
concentrated sulphuric acid mixed in 15-liter Battery Jar kept on an ice -bath
cooled to 0oC with constant stirring.
2) 300 g of potassium permanganate was added slowly to above suspension with
vigorous agitation and temperature less than 20 ℃ was maintained [otherwise it
may cause explosion].
3) Ice-bath was removed and the temperature of 35 ± 3 0 C for 30 minutes was
maintained. Brownish grey coloured paste was formed with evolution of small
amount of gas .
4) 4.6 litres of water was added slowly into the paste with stirring, Brown
coloured diluted suspension was formed and temperature increases to 98o C due to
exothermic reaction, and same temperature was maintained for 15 minutes.
5) Above suspension was further diluted to approximately 14litres with warm
water and treated with 3%, Hydrogen peroxide . Bright yellow suspension was
obtained.
( hydrogen peroxide reduce the residual permanganate and manganese dioxide to
colourless soluble manganese sulfate).
6) Suspension was filtered to get Yellow-brown filter cake. [The filtering was
conducted while the suspension was still warm to avoid precipitation of the
slightly soluble salt of mellitic acid formed as a side reaction].
7) The Yellow-brown filter cake was washed three times with a total of 14 litres of
warm water, the graphitic oxide or graphene oxide residue was dispersed in 32 litres
of water to approximately 0.5% solids.
8) The remaining salt impurities were removed by treating with resinous anion
and cation exchangers.
9) The dry form of graphitic oxide( or graphene oxide) was obtained by
centrifugation followed by dehydration at 40oC over phosphorus pentoxide in
vacuum.

The graphene oxide can be further reduced to graphene by using chemical, thermal or electrochemical
methods. The material produced is called reduced graphene oxide (rGO).

Conversion of graphite to GO, rGO

Properties of Graphene Oxide

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1. GO easily disperse in water and organic solvent.

2. GO is hydrophilic, hence water- or organic solvent-based suspensions are prepared.
3. GO is hygroscopic that depends on humidity.
4. GO has more surface area, so it is more reactive. So, it can form reduced graphene
oxide
5. The thermal conductivity of GO is very low . GO is used in the form of rGO with
improved thermal conductivity.
6. GO exhibits flame retardants property.
7. GO are electrical insulators with a bandgap of approximately 2.2 eV.
8. GO is used for the production of graphene (reduced graphene oxide (rGO)) by
chemical or thermal reduction.
9. GO can be used as a starting material for the synthesis of graphene derivatives

Applications of Graphene Oxide:

 Electronic devices.Energy storage devices.

 Bio- sensors.
 Biomedical applications.
 Super capacitors.
 Membranes, catalysts, and water purification.
 Polymer composite and metal composite
 Precursor for fabricating transparent conductive films (TFCs) Functionalized
GO can be used as fluorescence and photo luminescent means in cellular
imaging.
 Chemically-altered graphene oxide disperse easily in organic solvents makes
the material better suited toproduction of bio devices and optoelectronics, and
for use in drug delivery.

 Composites of GO with polymer, ceramic, and some matrix materials etc with
enhanced mechanical, electrical, and corrosion properties .
 Composites of GO with high entropy alloys are coated on mild steel to improve
corrosion resistance, wear resistance, hardness etc.
 GO and rGO are used to make geopolymer composites with enhanced mechanical,
microstructural and thermal properties..
 GO used as a precursor for fabricating transparent conductive films (TCFs).
 TCFs made from GO can replace indium tin oxide transparent conductors. GO can be
used as tin oxide replacement in touch screens and batteries.
 GO is hydrophilic, stable and homogeneous colloidal suspensions in aqueous or
polar organic solvents used in producing TCFs on a substrate.
 Monolayer GO thin films are used to obtain higher transparency and conductivity.
 GO papers have applied in the water desalination technique, to get useful salt and
minerals from saline water.
 GO paper could be used in water purification technique to obtain drinking water ie
Reverse osmosis

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 GO membranes may be used as ionic and molecular sieves or for selective gas
transport.
 GO can be used in the biomedical field. Its main applications are drug delivery,
cancer therapy, bioimaging, and biosensor.
 rGO that can be produced from GO used as a transparent electrode, hole transport
layer in polymer solar cells, and LED .
 rGO is used as energy storage material in super capacitors.
 rGO wrapped Fe3O4 can be used as high capacity energy storage and cycle stability
in a lithium-ion battery.
 GO is used as ideal hydrogen storage material. Zirconia- rGO nanocomposite serve
as good hydrogen storage material .
 rGO is used as an electrode in double-layered capacitors, batteries, fuel cells, and
solar cells. (extreme surface area of rGO)
 GO based electrodes used in electrochemical gas sensors, electrochemical biosensors,
electrochemi luminescence, analytical chemistry .
 GO-gold nanocomposites act as absorbent for removal of industrial dyes from
aqueous atmosphere and nitro aromatic pollutants.
 GO-based composites are used to remove harmful gases such as acetone,
formaldehyde, H2S, SO2, and NOx.
 GO adsorbs harmful water pollutants—organic dyes. Hence it is used to monitor
water pollution.
 GO as additive to cement-like materials enhances the mechanical properties
Magnesium oxychloride cements (MOCs) are promising alternatives to Portland
cement.
 rGO is used as inner coating for glass or Cu containers for storing corrosive acids.

5.Explain the preparation, properties, and commercial applications of Kevlar

Kevlar is a man made organic fibre belonging to aromatic polyamide family. Kevlar is the
commercial name for poly(p-phenylene terephtalamide) and is Dupont’s para-aramide
fiber in which all the amide groups are separated by para-phenylene groups.

Structure of Kevlar:

Preparation of Kevlar:

1 Kevlar is made by a condensation reaction of an aromatic diamine (1, 4-phenylene-

diamine) and aromatic acid chloride (terephthaloyl chloride).

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1, 4-phenylene-diamine terephthaloyl chloride Kevlar OR

2.Kevlar is also made by a condensation reaction of an aromatic diamine (1, 4-phenylene-

diamine) and aromatic dicarboxylic acid (Terephthalic acid ).

Kevlar is fibre embedded in an epoxy resin polymer matrix is called Polymer Composite.
Properties of Kevlar
 Kevlar is crystalline, lightweight and non-flammable
 High modulus of rigidity (structural rigidity) and toughness (work-to-break)
 Resistant to heat, impact, scratch
 Abrasion and corrosion resistant
 High tensile strength and High tenacity

 high chemical resistance

 Excellent dimension stability flame retardant self-extinguishing
 Low ductility
 Low electrical conductivity
Applications
1. It is used in lightweight boat hulls. Aircraft panels, Race cars
2. Bullet proof vests and combat helmets
3. Reinforce material for car tires, bicycle tires, which reduces puncture rate
4. Marine current turbine and wind turbine
5. Ropes and cables
6. Fibre-optic cables for communication, data transmission and ignition

6.Explain the construction and working of photovoltaic cells. Mention its advantages and
disadvantages.
Solar cell or photo voltaic cell (PVcell) :
Photovoltaic cells, or solar cells as they are commonly called, are devices that generate DC current
from semiconductors on illumination by photovoltaic effect.
 When semiconductors such as silicon are illuminated by photons (eg. from sun light),
electricity is generated.
 Electricity can be generated only as long as sun light is available and in the absence of
sun light generation of electricity ceases.
Construction and working of Solar cell OR PV cell
 Photovoltaic cell mainly consists of a semiconductor diode ( p-n junction) made from
Si semiconductor.

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 It has two electrical contacts. One is a metallic grid made from Ti-Ag solder over n-
type (front side ) and the second is a layer of silver metal at the back of p-type
semiconductor.
 A thin transparent, layer of silicon nitride or TiO2 (0.1 µm thickness) acts like a anti
reflective layer is coated in between the metal grids to prevent reflection of solar light.
 The metal grid permits the light to fall on the diode between the grid lines.

OR Metal grid Ti- Ag

alloy Antireflective layer
Sunlight TiO2

e
n-type region
region
Load Résistance
p-type
region Electron-hole e- + Electron-hole
pair e- + pair

Silver Metal contact

Working
 When sunlight with photons carrying energy E = hν (which is enough to cross the
barrier potential for electron) falls on p-n junction diode, electrons are ejected from p-type
semiconductor creating an electron-hole pairs. These electrons move to n-side through p-
n junction . Since p-n junction allows only one way movement of electrons.
 When the p-n junction diode is open circuited the electrons and holes are drifted to n-
side and holes to p-side respectively and accumulated on the two sides of the junction.
 Electrons must flow through the external circuit to recombine with holes present in p-
side of semiconductor. If a load resistance is connected across the diode electrons will
move from n-side to p-side through the external circuit.
 This movement of electrons from n-side to p-side through the external circuit
generates an electric current.
 The current flows as long as the diode is exposed to sunlight .Electrical energy obtained
from a PV cell is directly proportional to area of the cell exposed to light radiation and
intensity of light radiation.

Advantages of PV cells:
 They make use of renewable energy source.
 They need no recharging like batteries.
 They operate at ambient temperature.

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They do not corrode.

Do not cause pollution. Hence they are environmental friendly.
Minimize dependence on fossil fuel and reduce green house gas emissions mainly
CO2.
 Photovoltaic cells have no movable parts and hence do not suffer from wear and tear.
They operate at ambient temperature, are environment friendly.
Disadvantages of PV cells:
 They work only in presence of sun light.
 The efficiency of solar cells depends on the seasonal variations, latitude and climate.
 Conversion efficiency per square meter of the panel surface is 14-20%.
 Space is a constraint that is space required to generate unit power output is relatively
more.
 Dust often accumulates on the panel thus reduces its efficiency.

7.What is Green hydrogen Fuel ? Mention its advantages and disadvantages.

Green Fuels
Green fuel provides real benefits for the environment since the power comes from natural
resources such as sunlight, wind and water. Green hydrogen is effectively produced from energy
sources that are renewable in nature and also maintains the process of electrolysis by effectively
splitting water.

Advantages of green fuel:

The usage of green fuels has successively reduced the emission of greenhouse gasses by around
30 per cent of the combustion rate.

A proper balance is maintained by effectively focusing on fuel sensitivity with respect to the
environment.
Furthermore, it is also noted that the application of green energy is responsible for producing
moreenergy referred to as “energy bounce”

Green hydrogen is defined as hydrogen produced by splitting water into hydrogen

and oxygenusing renewable electricity.

Hydrogen is clean , continuous and renewable energy source required to meet global energy
demand. Hydrogen is the only promising alternative fuel to carbonaceous fuels.
Advantages of hydrogen as fuel are
1.Hydrogen is an ideal, highly efficient , renewable , clean and sustainable energy source.
2. It is abundant from various sustainable sources (biomass or water).
3. Energy content of hydrogen is 122 kj/g, which is 2.75 times greater than hydrocarbon
fuels like petrol and diesel. However, its volumetric density is lower than petrol, diesel.
4.The combustion product is water, which is not a pollutant.
5.It can be used as chemical fuel and burnt directly to produce heat energy.
6. It can be used as fuel in fuel cell for the production of electric current.
7. It has high storage capacity thus considered as an ideal alternative source of energy for
fossil fuels.

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Main drawbacks of hydrogen as a fuel

1. Hydrogen is a colourless, odourless gas which is extremely flammable and highly
explosive. Therefore, storing , handling ,transportation is very difficult.
2. Cost of storing of hydrogen as a compressed gas or liquid is high as it requires lot of
energy.
3. Cost of development of hydrogen infrastructure (hydrogen technology) is very high.
4.hydrogen is a secondary source of energy. Production of clean hydrogen from renewable
source is a major challenge.

8.Describe the generation of hydrogen by Alkaline water electrolysis with a neat labelled
diagram. Mention the advantages of AWE

Alkaline electrolyzer
Construction:
Alkaline electrolyzers are composed of electrodes, a micro porous separator and an alkaline
solution.
Cathode: Nickel electrode coated with a catalytic layer of platinum.
Anode: Nickel or copper electrode covered by oxides of metals (of mangan, wolfram, ruthenium).
Electrolyte : Aqueous solution of potassium hydroxide (KOH) with 20-30 weight % is used as an
electrolyte to maximize its ionic conductivity. (sodium hydroxide or sodium chloride).
Separator: Porous dense anion exchange membrane is used as the separator . It is a good ionic
conductor of hydroxide ions and bad electronic conductor . It prevents the spontaneous recombination
of H2 and O2.
Examples: Ion exchange inorganic membranes or Antimony polyacid impregnated with polymers or Porous
composite composed of a polysulfone matrix and ZrO2 (Zirfon) or polyphenyl sulfide (Ryton)or
Asbestos.
Operating temperature: 100–150 °C

Working:
 Water electrolysis is a non-spontaneous chemical reaction. it is driven by external
electricity and by applying a sufficient voltage between the two end electrodes
(current density of 100–300 mA/cm2). Anode is connected to positive end of DC and
cathode is connected to negative end. Water is fed into the cathode.
 At cathode water is reduced by electrons to hydrogen and hydroxyl ions (OH-
).Hydroxyl ions migrate through the alkaline KOH electrolyte and pass through
separator membrane to the anode.
 At anode hydroxyl ions (OH-) are oxidised into oxygen and water while releasing

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electrons.
 Hydrogen leaves an alkaline solution and is separated from water in a gas–liquid
separation unit outside of the electrolyser.
Reactions:
Cathode: 2H2O + 2e- → H2 + 2OH-
Anode: 2OH- -→ 1/2 O2 + H2O + 2e-
Overall reaction: H2O → H2 + 1/2 O2
Overall , a water molecule splits in to hydrogen and oxygen in the ratio of 2:1.
Advantages of Alkaline water electrolysis
 Alkaline water electrolysis is an easier, cheaper and simple method for hydrogen
production.
 Electrodes are made of cheaper nickel metal.
 Pure carbon free hydrogen (99.9 vol. %) and oxygen (99.7 vol.%).
 Excess cheap current from renewable sources like solar power can be converted to
hydrogen gas and stored as chemical energy.
 AEC are reliable and safe, and exhibit lifetimes up to 15 years .
 They are used at a commercial level worldwide.
 They are suited for stationary applications and are available at operating pressures up to 25 bar.
 Advanced alkaline electrolyzers are the most suitable for large-scale hydrogen production.
 The efficiency of alkaline electrolyzers reaches 50– 60 %.

9.Explain the generation of hydrogen by proton exchange membrane electrolysis. Mention

the advantages of PEWE.

Polymer electrolyte membrane water electrolysis

Construction:
There are three components in a polymer electrolyte membrane water electrolysis cell.
Anode: Iridium metal dispersed on porous carbon is used as anode electro catalyst for oxygen
evolution reaction.
Cathode: Platinum particles coated on porous carbon is used as cathode electro catalyst for hydrogen
evolution reaction.
Porous metal electrodes pressed on either sides of the surface of polymer membrane are used as anode
and cathode.
Electrolyte and Separator: A porous solid polymer electrolyte is a gas-tight thin (0.2 mm) cross
linked polymeric membrane with strongly acid character due to the presence of functional
groups of the sulfonic acid (SO3H) type are responsible for the conduction of proton through
an ion exchange mechanism.
Polymeric membrane is chemically stable, good protons conductor and bad electronic conductor and
prevents the spontaneous recombination of H2 and O2.
Sulfonated tetrafluoroethylene- based fluoropolymer (NAFION) is used as an electrolyte as well as a
separator.
Operating temperature: 800 C

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Working:
 Water electrolysis is a non-spontaneous chemical reaction. It is driven by external
electricity and by applying a sufficient voltage between the two end electrodes.
Anode is connected to positive end of DC source and cathode is connected to the
negative end. Deionised water is circulated in the anodic chamber.
 At anode water is oxidised liberating oxygen gas and hydrogen ions and releasing
electrons.
 Hydrogen ions migrate through the solid polymer electrolyte membrane to the
cathode , where they are reduced into molecular hydrogen.

Reactions:
Anode: H2O → 1/2O2 + 2H+ + 2e-
Cathode: 2H+ + 2e- → H2
Overall reaction : H2O → H2 + 1/2 O2
Advantages of PEM electrolysis
 Use of polymer membrane avoids use of liquid acid electrolyte. Therefore, chance of electrolyte
leakage is prevented, which simplifies the design significantly.
 Increased safety due to the absence of KOH electrolytes, a more compact design due to higher
densities, and higher operating pressures.
 The electrolyte (acidic polymer membrane)is chemically stable and non-corrosive.
 These are suited for both stationary and mobile applications.
 Pure carbon free hydrogen (99.999 vol.%) is obtained.
 Excess cheap current from renewable sources like solar power can be converted to
hydrogen gas and stored as chemical energy.
 Low gaseous permeability of the polymeric membranes lowers the risk of formation
of flammable mixtures and hence t he y operate at very low current densities.

 The polymeric membrane responds quickly to power fluctuations.

Advantages of hydrogen as fuel

1.Hydrogen is an ideal, highly efficient , renewable , clean and sustainable energy source.
2. It is abundant from various sustainable sources (biomass or water).
3. Energy content of hydrogen is 122 kj/g, which is 2.75 times greater than hydrocarbon
fuels like petrol and diesel. However, its volumetric density is lower than petrol, diesel.
4.The combustion product is water, which is not a pollutant.
5.It can be used as chemical fuel and burnt directly to produce heat energy.
6. It can be used as fuel in fuel cell for the production of electric current.

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7. It has high storage capacity thus considered as an ideal alternative source of energy for
fossil fuels.
Main drawbacks of hydrogen as a fuel
1. Hydrogen is a colourless, odourless gas which is extremely flammable and highly
explosive. Therefore, storing , handling ,transportation is very difficult.
2. Cost of storing of hydrogen as a compressed gas or liquid is high as it requires lot of
energy.
3. Cost of development of hydrogen infrastructure (hydrogen technology) is very high.
4.Hydrogen is a secondary source of energy. Production of clean hydrogen from renewable
source is a major challenge.

Poly dispersity Index:

"The poly dispersity index is defined as the ratio of the weight average molecular mass to the
number average molecular mass".
Mw
PDI 
Mn
The polydispersity index (PDI) is a measure of the heterogeneity of a polymer sample
based on the size of the polymer molecules.
If PDI = 1, polymer is less heterogeneity or monodisperse & homogeneous i.e., all the
molecules have the same molecular mass.
If PDI >1 polymer is more heterogeneity or polydisperse & less homogeneous,where
molecules have different molecular mass .
Numerical problems
1.In a sample of a polymer, 100 molecules have molecular mass 10 3 g/mol, 250 molecules
have molecular mass 104 g/mol, and 300 molecules have molecular mass 105 g /mol,
calculate the number average and weight average molecular mass of the polymer, Calculate
PDI and comment on it.
Solution. It is given that,
N1 =100 & M1 = 103g/mol,
N2 =250 & M1 = 104 g/mol,
N3 =300 & M1 = 105 g/mol.
The number average molecular mass of the polymer is given by

Mn 
 NiMi
 Ni
N1 M 1  N 2 M 2  N 3 M 3 100 X 10 3  250 X 10 4  300 X 10 5  50153g / mol
 
N1  N 2  N 3... 100  250  300
The weight average molecular mass of the polymer is given by

Mw 
 Ni Mi 2

 Ni Mi
N M  N2M 2  N3M 3
2 2 2

MW  1 1
N1 M 1  N 2 M 2  N 3 M 3

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 Applied Chemistry for Computer Science & Engineering stream Dr. S. K. Revathi

100 X (10 3 ) 2  250 X (10 4 ) 2  300 X (10 5 ) 2

MW   92794 g / mol
100 X 10 3  250 X 10 4  300 X 10 5
Mw 92794
Poly dispersity index, PDI    1.85
Mn 50100
PDI >1 ,the given polymer is less homogeneous and poly disperse in nature.
2. In a sample of a polymer, 20% molecules have molecular mass 15000 g/mol, 35%
molecules have molecular mass 25000 g/mol, and remaining molecules have molecular mass
20000 g /mol, calculate the number average and weight average molecular mass of the
polymer, Calculate PDI and comment on it.
Solution. It is given that,
N1 =20 & M1 = 15000g/mol,
N2 =35 & M1 = 25000g/mol,
N3 =45 & M1 = 20000 g/mol.
The number average molecular mass of the polymer is given by

Mn 
 NiMi  N1 M 1  N 2 M 2  N 3 M 3
 Ni N1  N 2  N 3...
20 X 15000  35 X 25000  45 X 20000
  20750 g / mol
20  35  45
The weight average molecular mass of the polymer is given by

Mw 
 Ni Mi 2
 Ni Mi
N M  N2M 2  N3M 3
2 2 2

MW  1 1
N1 M 1  N 2 M 2  N 3 M 3
20 X (15000) 2  35 X (25000) 2  45 X (20000) 2
MW   21385 g / mol
20 X 15000  35 X 25000  45 X 20000
Mw 21385
Poly dispersity index, PDI    1.03
Mn 20750
PDI >1 ,the given polymer is less homogeneous and poly disperse in nature.

3.In sample of a polymer, 25% molecules have molecular mass 12000 g/mol, 30% molecules
have molecular mass 25,000 g/mol and 45% molecules have molecular mass
35,000 g/mol. Calculate number average, weight average molecular mass and PDI
of polymer sample.

Answer: N1=25, M1 =12,000g/mol. N2=30, M2 =25,000g/mol and N3=45, M3 =35,000g/mol.

Mn 
 NiMi  N1 M 1  N 2 M 2  N 3 M 3 = 25X 12000 + 30 X 25000 + 45 X 35000 / 25+ 30+ 45
 Ni N1  N 2  N 3...
= 26,250 g/mol

N M  N2M 2  N3M 3
2 2 2

MW  1 1
N1 M 1  N 2 M 2  N 3 M 3
=25X 120002 + 30 X 250002+ 45 X 350002/ 25X 12000 + 30 X 25000 + 45 X 35000

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 Applied Chemistry for Computer Science & Engineering stream Dr. S. K. Revathi

=29,514.28 g/mol

Poly dispersity index, PDI = Mw/ Mn = 29,514.28 g/mol/ 26,250 g/mol

= 1.12
PDI >1 ,the given polymer is less homogeneous and poly disperse in nature.

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 Applied Chemistry for Computer Science & Engineering stream Dr. S. K. Revathi

4.A polymer polyethylene if having the following composition. Calculate number

average, weight average molecular mass and PDI of poly ethylene sample. Given
atomic mass of C=12and H=1.
–(CH2 – CH2 )–200 -- 15%
–(CH2 – CH2 )–400 -- 35
–(CH2 – CH2 )–600 -- 50%

Answer: N1=15, N2=35, and N3=50.

M1 =[(atomic mass of Carbon X Number of carbon atoms) +(atomic mass of Hydrogen X
Number of Hydrogen atoms)] X 200
M1 =[(12X2)+(1X4)] X 200 = 5,600 g/mol.
M2 =[(12X2)+(1X4)] X 400 = 11,200 g/mol
M3 =[(12X2)+(1X4)] X 600 = 16,800 g/mol.

Mn 
 NiMi  N1 M 1  N 2 M 2  N 3 M 3
 Ni N1  N 2  N 3...
= 15X 5600 + 35X 11200+ 50X 16800 /15+ 35+ 50
= 13160 g/mol

N M  N2M 2  N3M 3
2 2 2

MW  1 1
N1 M 1  N 2 M 2  N 3 M 3
=15X 56002 + 35X 112002+ 50X 168002/ 15X 5600 + 35X 11200+ 50X 16800
=17633.8 g/mol
PDI = Mw/ Mn = 17633.8 g/mol/13160 g/mol =1.34
PDI >1 ,the given polymer is less homogeneous and poly disperse in nature

 These charge sites on the polymer chains are compensated by cations (Na+ ions)
formed by thereducing agent.

I Reduction
Na-Naphthalide

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 Applied Chemistry for Computer Science & Engineering stream Dr. S. K. Revathi
- +
- e , + Na

Na+
II Reduction
- e-, + Na+

Na+

Recombination of radicals
Na+

Na+

Reactions of n- doping of polyacetylene

Applications of Polyacetylene

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