Concentrations and Other Units of Measure: (Nazaroff & Alvarez-Cohen, Section 1.C.1)

Concentrations and Other Units of Measure
(Nazaroff & Alvarez-Cohen, Section 1.C.1)
The concept of concentration exists to answer the question:
How much of the “stuff” is there?
Definition: The concentration of a substance is the “amount” of it

per “amount” of containing material (air, water, soil).
It can be expressed in various units.

If the containing medium is air for example:
CA = mass of A / volume of air used with mass balances

[A] = moles of A / volume of air used with chemical reactions
XA = mass of A / mass of air used when air pressure varies
YA = moles of A / moles of air occasionally handy
PA = partial pressure of A used for air-water exchange
(compared to atmospheric pressure)
Unit conversion
It is often necessary to switch units, for example,

to pass from a chemical reaction
in which amounts are most naturally expressed in moles
to a mass budget
in which amounts are most naturally expressed in grams.
Rule 1:
Mass in grams = Molecular weight x Number of moles
where
Molecular weight =  Atomic weights
Examples:
H2O: MW = 2x1 + 1x16 = 2 + 16 = 18 grams per mole

CO2: MW = 1x12 + 2x16 = 12 + 32 = 44 grams per mole
H2SO4: MW = 2x1 + 1x32 + 4x16 = 2 + 32 + 64 = 98 grams per mole
1
Atomic weights
most commonly used in environmental engineering
Hydrogen H 1
Carbon C 12 (14 is for radioactive form of C !)
Nitrogen N 14
Oxygen O 16
Phosphorus P 31
Sulfur S 32
Chlorine Cl 35.45
Calcium Ca 40
It is helpful to memorize the preceding symbols and atomic numbers.
For other elements, see the Periodic Table of Elements, on the next slide.
Periodic Table of Elements
Note: Round numbers when they are close to being integers.
Examples: Hydrogen = H = 1; Carbon = C = 12; Oxygen = O = 16

but Chlorine = Cl = 35.45.
2
Rule 2:
Pressure of a gas is determined from the ideal-gas law

(Nazaroff & Alvarez-Cohen, Section 2.B)
PA V  n A R T
where PA = partial pressure of A, in atm (atmosphere)

V = volume occupied, in m3 (entire volume, even if shared with other gases)
nA = number of moles of A in that volume
R = universal constant
= 8.205 x 10-5 atm • m3 / (mol • K) = 8.314 J / (mol • K)
T = absolute temperature, in kelvins (K)
Recall:
Absolute temperature (K) = temperature in degrees Celsius (oC) + 273.15
When several gases occupy a common volume in a mixture,
their partial pressures simply add up to the total pressure,
which is usually the atmospheric pressure:
RT shared temperature
Patm  Ptotal  PA  PB  PC  ...  (n A  nB  nC  ...)
V shared volume
Properties of air
Apply ideal-gas law to air.
At standard pressure (P = 1 atm) and temperature (T = 15oC = 288.15 K),
one mole (n = 1 mol) of air occupies a volume V equal to
nRT (1 mol)(8.205 10-5 atm  m 3 /mol K )(288.15 K )

V 
P (1 atm)
 0.02364 m 3  23.64 L (liters)  6.25 gallons
Also,
Air = mixture of 79% nitrogen + 21% oxygen

MWair = (0.79) MWnitrogen + (0.21) MWoxygen
= (0.79)(2 x 14) + (0.21)(2 x 16)
= 22.12 + 6.72 = 28.84 grams per mole
Actually, the value is 28.95 g/mol because of CO2 and rare gases (heavier).
This leads to:
1 / (0.02364 m3/mol) = 42.3 mol/m3

(28.95 g/mol) / (23.64 L/mol) = 1.22 g/L at ambient pressure and temperature
3
Properties of water
Water is a liquid, which may be considered as incompressible in all

environmental applications.
Numbers for water are:
H2O → MW = 2x1 + 1x16 = 18 → 18.0 g/mol
Density = 997 g/L (Think: 1 kg per liter)
Combine the above:
(997 g/L) / (18.0 g/mol) = 55.4 mol/L
Summary of unit conversion
1 mole weighs MW grams and occupies V liters
MW
moles grams
V
MW/V
liters
moles to grams: multiply by MW
moles to liters: multiply by V
liters to grams: multiply by MW/V if gas; use density if liquid
4
Common abbreviations
% percent 1 part in 100

‰ per mil 1 part in 1000
ppm part per million 1 part in 106

ppb part per billion 1 part in 109
ppt part per trillion 1 part in 1012
Convention: The “part” stands for “mass” in water but for “moles” in air.
Air Example:
Today’s carbon dioxide

concentration in the atmosphere
is reported to be about 409 ppm.
This means that there are 409

moles of CO2 per million moles
of air.
In-class exercise
Knowing that the total mass of the atmosphere is

4.99 x 1015 metric tons,
And that the current CO2 concentration is

409 ppm,
How many tons of CO2 are there in the atmosphere?
Then, what is the partial pressure of CO2 in the atmosphere?
How much weight has been added on your shoulders since the CO2
concentration rose from its pre-industrial level of 270 ppm?
5
Stoichiometry
(Nazaroff & Alvarez-Cohen, Section 3.A)
Stoichiometry is the application of mass balance to chemical transformation.

In short, atoms are conserved, and when combinations of atoms disintegrate,
new combinations form with the same atoms. No loss, no gain.
Example: Oxidation of glucose
C6H12O6 + (???) O2 → (???) CO2 + (???) H2O
First, equilibrate the C’s and H’s before and after:
C6H12O6 + (???) O2 → 6 CO2 + 6 H2O
Thus, we need 6x2 + 6x1 = 18 O’s on the right; already 6 on left, need 12 more:
C6H12O6 + 6 O2 → 6 CO2 + 6 H2O
Use of stoichiometry to make material budgets
Take oxidation of glucose again:
C6H12O6 + 6 O2 → 6 CO2 + 6 H2O
From this, we note that it takes

6 molecules of oxygen (O2) to oxidize 1 molecule of glucose (C6H12O6).
Thus, 6 moles of oxygen are needed to oxidize 1 mole of glucose.
MW of oxygen = 2x16 = 32 g/mol

MW of glucose = 6x12 + 12x1 + 6x16 = 72 + 12 + 96 = 180 g/mol
So, it takes 6x32 = 192 grams of oxygen to oxidize 180 grams of glucose.
Check values on the right:

Production is 6 moles of carbon dioxide (CO2) → 6x(12+32) = 6x44 = 264 grams
6 moles of water (H2O) → 6x(2+16) = 6x18 = 108 grams
Total on right = 264 + 108 = 372 grams
while total on left is = 180 + 192 = 372 grams.
6
In-class problems
Combustion of butane: C4H10
Formation of ambient ozone (O3), by three successive reactions:

NO2 splits into NO and atomic O
O combines with oxygen to make ozone
Ozone reacts with NO to produce O2 and NO2
Answers:
C4H10 + 6.5 O2 → 4 CO2 + 5 H2O (208 grams of oxygen needed

to burn 58 grams of butane)
NO2 → NO + O
O + O2 → O 3 (46 grams of nitrogen dioxide produces 48 grams of ozone)
O3 + NO → O2 + NO2
Precision, Accuracy and Resolution

(Nazaroff & Alvarez-Cohen, Section 1.C.7)
In engineering generally and especially in environmental matters, no quantity

can be known perfectly well. There will always be some error attached to the
measurement or to the calculated value.
Precision indicates how well the measurement is made.

Repeated measurements yield similar values,
but there may be a bias in the measuring technique.
Accuracy describes how close a measurement actually gets to the true value.
Resolution refers to the granularity of the measurement, either in terms of

instrumental response or grid step in a computer simulation model.

Concentrations and Other Units of Measure: (Nazaroff & Alvarez-Cohen, Section 1.C.1)

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Concentrations and Other Units of Measure

(Nazaroff & Alvarez-Cohen, Section 1.C.1)

The concept of concentration exists to answer the question:

How much of the “stuff” is there?

Definition: The concentration of a substance is the “amount” of it

It can be expressed in various units.

CA = mass of A / volume of air used with mass balances

It is often necessary to switch units, for example,

Mass in grams = Molecular weight x Number of moles

Molecular weight =  Atomic weights

H2O: MW = 2x1 + 1x16 = 2 + 16 = 18 grams per mole

It is helpful to memorize the preceding symbols and atomic numbers.

Periodic Table of Elements

Note: Round numbers when they are close to being integers.

Examples: Hydrogen = H = 1; Carbon = C = 12; Oxygen = O = 16

Pressure of a gas is determined from the ideal-gas law

where PA = partial pressure of A, in atm (atmosphere)

nRT (1 mol)(8.205 10-5 atm  m 3 /mol K )(288.15 K )

Air = mixture of 79% nitrogen + 21% oxygen

This leads to:

1 / (0.02364 m3/mol) = 42.3 mol/m3

Water is a liquid, which may be considered as incompressible in all

Numbers for water are:

H2O → MW = 2x1 + 1x16 = 18 → 18.0 g/mol

Density = 997 g/L (Think: 1 kg per liter)

Combine the above:

(997 g/L) / (18.0 g/mol) = 55.4 mol/L

Summary of unit conversion

1 mole weighs MW grams and occupies V liters

moles to grams: multiply by MW

moles to liters: multiply by V

liters to grams: multiply by MW/V if gas; use density if liquid

% percent 1 part in 100

ppm part per million 1 part in 106

Today’s carbon dioxide

This means that there are 409

Knowing that the total mass of the atmosphere is

And that the current CO2 concentration is

How many tons of CO2 are there in the atmosphere?

Then, what is the partial pressure of CO2 in the atmosphere?

Stoichiometry is the application of mass balance to chemical transformation.

Example: Oxidation of glucose

C6H12O6 + (???) O2 → (???) CO2 + (???) H2O

First, equilibrate the C’s and H’s before and after:

C6H12O6 + (???) O2 → 6 CO2 + 6 H2O

C6H12O6 + 6 O2 → 6 CO2 + 6 H2O

Use of stoichiometry to make material budgets

Take oxidation of glucose again:

C6H12O6 + 6 O2 → 6 CO2 + 6 H2O

From this, we note that it takes

Thus, 6 moles of oxygen are needed to oxidize 1 mole of glucose.

MW of oxygen = 2x16 = 32 g/mol

Check values on the right:

Combustion of butane: C4H10

Formation of ambient ozone (O3), by three successive reactions:

C4H10 + 6.5 O2 → 4 CO2 + 5 H2O (208 grams of oxygen needed

Precision, Accuracy and Resolution

In engineering generally and especially in environmental matters, no quantity