2 - Units of Concentration

Mass/Mass Concentration Units

ppm (by mass)
Mass of chemical per 10
6
units of total mass







solid 10 1
pollutant g 1
solid g 10 1
pollutant 10 1

solid kg
pollutant mg
solid mg 10
pollutant mg
ppm 1 solids,
total kg 10
i kg 1
total g 10
i g 1
ppm
6 3
3 -
6
6 6
g
g
In

=
= =
= =
Use any consistent
units of mass!
1. Convert to ppm
1% (w/w) NaCl in water
solute = 1% NaCl; solvent = 99% water

2. Convert to g TCE/m
3
soil
10 ppm trichloroethene (TCE) in soil
Soil Bulk Density = 1600 kg/m
3


Mass/Mass Concentration Units
Solutions
1. 1% (w/w) NaCl in water



2. 10 ppm TCE in soil
NaCl ppm
g
g
ppm
x
solution g
NaCl g
4
6
10
10
1
1
100
1
=
3
3
3
6
/ 16
1600 10
1
10
1
10
m g
m
kg
x
kg
g
x
ppm
g
g
TCE ppm
=
Important!
Show ALL units!
1 mg/L = 1 ppm (mass)?
Aqueous systems
These units are often used interchangeably.
Why?
Density of dilute solution is similar to density of water
1 ppm NaCl in water

Density of pure water at 5 C: 1,000 g/L
Density of pure water at 20C: 998.2 g/L
L mg
g
mg
x
L
g
x
solution g
NaCl g
/ 1
1000 1000
10
1
6
=
Example Problems
1. 5
o
C: 1L of water contains 20 mg toluene.
What is the toluene concentration in ppm (mass)?
Assume
solution
is the same as
water

toluene ppm
g
g
ppm
mg
g
x
solution g
solution L
x
solution L
toluene mg
m
m
20
10
1
1
1000 1000
20
6
=
ppm
m
in text
Example Problems (contd)
2. 10 mL pure toluene spilled in sealed 8 m
3
room.
What is toluene concentration in the air (in mg/m
3
)?
Assume toluene completely volatilizes
Density of pure toluene liquid = 0.867 g/mL.





Is this a health concern?
Material Safety Data Sheet (Sigma, other Internet sites)
http://www.bandj.com/BJMSDS/MSDS_PDF/TOLUENE.pdf
Short term exposure limit (STEL) = 565 mg/m
3
3
3
/ 084 , 1
8
1000 867 . 0
10
m mg
m
g
mg
x
mL
g
x toluene mL
=
15-min exposure
mg/L as X
We often want to
know the quantity of
an element in water
or the quantity of a
reactive component.
But we also want to
express that in mg/L
as opposed to
moles/L.
We can express
substances in terms
of an element or
reactive species by
converting from the
mass of the particular
species to the mass
of the element (or
reactive species.
Example
A water contains 10 mg/L of NO
3
-
and 5 mg/L of
NH
3.
How much nitrogen as N is in the water?

MW(NO3-) = 62g/mol, Mw(NH3)= 17g/mol, Mw(N) =14 g/mol







N as L mg N as L mg L mg
N as L mg
mmole
mgN
x
mg
mmole
x
solution L
NH mg
N as L mg
mmole
mgN
x
mg
mmole
x
solution L
NO mg
/ 38 . 6 / 12 . 4 / 26 . 2
/ 12 . 4
14
17
5
/ 26 . 2
14
62
10
3
3
= +
=
=

Equivalents
It is common to use
units of
equivalents/L when
comparing species
ability to
donate/accept
charge, protons or
electrons to a system
If an acid
donates/accepts 2
protons it has an
equivalent number of
2
1 mole/L of that acid
is 2 equivalents/L (or
2 Normal)
Example - equivalents
Prepare a 1N solution of potassium dichromate (K
2
Cr
2
O
7
)
MW = 294.19 g/mol
6 equivalents/mol from
K
2
Cr
2
O
7
+ 14H
+
+

6e
-
= 2K
+
+ 2Cr
3+
+ 7H
2
O
Equivalents weight = 294.19/6 = 49.03 g/eq
1N = 1eq/L => 1eq/L * 49.03 g/eq = 49.03 g/L
Add 49.03 grams to a 1 L volumetric flask and fill to the 1
liter mark


What is the concentration of a) 1N HCl, b) 1N H2SO4 and
c) 1N H3PO4?
C
eq
[N] = C * z z charge
What is the concentration of HCl in
concentrated HCl in moles/L?
HCL - 37% v/v. Specific gravity: 1.19 g/ml

What is the mass% (w/w%) of H2SO4 with c
(H
2
SO
4
) = 2,5 mol/L and specific gravity = 1,139
g/cm
3
?
What is the concentration of HCl in
concentrated HCl in moles/L?
HCL - 37% v/v. Specific gravity: 1.19 g/ml

What is the mass% (w/w%) of H2SO4 with c
(H
2
SO
4
) = 2,5 mol/L and specific gravity = 1,139
g/cm
3
?
Example using mg/L, moles/L and
equivalents
Dissolution reaction: CaCl2 Ca2+ + 2Cl-
a) Calculate how many moles/L of CaCl2 are
needed to produce a solution with
a) 500 mg/L Ca2+
b) 500 mg/L Cl-
From Weiner , 2000
Alkalinity in a water sample is reported as 450
mg/L of CaCO3. Covert this to eq/L CaCO3
Mw(CaCO3) = 100 g/mol

Ceq = C*z z = charge
From Weiner , 2000
Volume/Volume and Mole/Mole
Concentration Units
moles
pollutant
or
volume total
pollutant volume
total
moles
total m 10
i of m 1
total L 10
i of L 1
by volume million per
3 6
3
6
= = =
v
ppm parts
total m 10
i of m 1
total L 10
i of L 1
ppb by volume billion per parts
3 9
3
9
v
= = =
Can we detect odor of O3 in samples with O3 level: 0.118ppm,
0.001ppm? Threshold for human nose: 10 ppb
Volume/Volume and Mole/Mole
Concentration Units
Ideal Gas Law







R=0.082056 (L atm) / (K mol)

constant gas universal R
Kelvin) (in re temperatu absolute T
moles of number n
volume V
pressure P
nRT PV
=
=
=
=
=
=
Example
What tank volume is required to hold 10,000
kg of methane gas (CH
4
) at 25 degrees Celsius
and 2 atm pressure?
a) MW = ?
b) n =
c) V =
What is the volume of 1 mole of an ideal gas at 1 atm
and 25 C/0C ?
General Conversion
between ppmv and mg/m
3





g
mg 10
t MWpollutan
RT
P
ppm 1
air m 10
pollutant m 1
ppm
?? mg/m ppm
3
v
3 6
3
v
3
v

|
|
|
|
|
.
|

\
|

x
pollutant m
pollutant moles
3
pollutant mol
pollutant g
Example Problem
SO
2
in air is measured to be 100 ppbv.
Atomic weights: S=32 g/mole and O=16 g/mole
T=28 C and P=1 atm.
What is the concentration in units of g/m
3
?








NAAQS Standard: Annual Average: 80 g/m
3
3
6
3
3 9
3
/ 259
10 64 1000
301 082056 . 0
1
1
10
1
100
m g
g
g
x
mol
g
x
m
L
x
mol K
K x atm L
atm
x
ppb
m
m
x ppb

=
P/RT MW
1000L=1m
3
Example problem
Groundwater is contaminated with 5 ppm
m

trichloroethylene (TCE).
What is the concentration of TCE in molar units?
Note: MW of TCE =131.5 g/mole

M x
L
g
x
g
mole
x
ppm
g
g
x TCE ppm
5
6
10 8 . 3
1000
5 . 131
1
1
10
1
5

=
X
2. Balancing Reactions by Creating
and Balancing Half Reactions
1. Balance stoichiometric coefficients of major species
(everything besides O and H).

2. Add H
2
O to balance oxygen.

3. Add H
+
to balance H.

4. Add e
-
to balance charge.

5. Combine two half reactions (no e
-
in balanced rxn).
Example: Redox
Microorganisms can reduce BrO
3
-
to Br
-
by coupling this
to the oxidation of CH
3
COOH to CO
2
.


a. Write the half reaction for the reduction of BrO
3
-
to Br
-
.





b. Calculate the oxidation state of Br in BrO
3
-
and in Br
-
.


BrO
3
-
: X
Br
+ 3(-2)=-1 X
Br
=+5
Br
-
: X
Br
=-1
2 2 3 3
CO O H Br COOH CH BrO + + +

Example: Redox (contd)

c. Write half reaction for oxidation of CH
3
COOH to CO
2
.



d. Calculate the average oxidation state of C in CH
3
COOH
and in CO
2
.


CH
3
COOH: 2X
C
+ 4(1) + 2(-2) = 0 X
C
=0

CO
2
: X
C
+2(-2)=0 X
C
=+4
Example: Redox (contd)
e. Combine the 2 half reactions to get the overall balanced
reaction.
) 3 6 6 ( 4
2 3
O H Br e H BrO + + +
+

) 8 8 2 2 ( 3
2 2 3
+
+ + + e H CO O H COOH CH
2 2 3 3
6 6 4 3 4 CO O H Br COOH CH BrO + + +