Book of Calculator Programs 01e

Simplest Formula Series in Chemistry
Calculator Programs Chemistry
Stephen Joseph Boylan
December 2018
Course Learning Outcome: Use a hand held calculator to solve chemistry problem. Develop habit and skill of
coding calculator. Develop knowledge of chemical systems. Start to understand chemical systems and relation
for programs

Calculator Programs
Chemistry
April 2017

Calculator Programs Chemistry
April 2017
Index
Lab 9 Molar Mass from the Ideal Gas Law
Lab 1 Density Calculator Program S. J. Boylan August 17, 2014
Clausius-Clapeyron Calculator Program S. J. Boylan August 11, 2014
Polyprotic Weak Acid Calculator Program Case Studies Coliseum03
Gas Speed from Kinetic Theory Calculator Program CP004
Zinc Ammonium Complex
Phosphoric Acid
Ammonia Reaction (skeleton)
Intermolecular Forces Lennard Jones 6-12 Potential
Cannon Shot
Simplest Formula
Copper Lab

Lab 9 Molar Mass from the Ideal
Gas Law SJBoylan2016
Step One Know Your Application. T
The molar mass of a sample can be estimated using the ideal gas law.
This calculator program follows lab 9 Molar Gas of a Gas.
Step Two Assign variables. These variables have been assigned for you.
A = Mass of flask and stopper
B = Mass of flask stopper and condensed vapor
C = Mass of flask, stopper and water 1.
D = Density of water
E = Temperature of boiling water
F = Barometric pressure mmHg
G = Pressure of vapor, atm
H = Volume of inside of flask, V liters
I = Temperature of vapor
J = Mass of Vapor
K = Number of moles of vapor
L = Molar mass of sample
Step 3 Enter the following program code into your calculator.(TI-83 or TI-84) Your program is LABGAS9
Press PRGM
Move cursor to NEW
Press ENTER
Type LABGAS9
Press ENTER
The screen will show
PROGRAM:LABGAS9
You are in the edit mode
Enter the following code Programing hints
:ClrHome PRGM I/O 8
:Disp "LAB09 IDEAL GAS PRGM I/O 3 2ND A-LOCK
:Input "FLASK A ? ", A PRGM I/O 1
:Input "FLASK VAPOR B? ", B PRGM I/O 1
:Input "FLASK WATER? ",C PRGM I/O 1
:Input "DENSITY? ", D PRGM I/O 1
:Input "TEMPERATURE ", E PRGM I/O 1
:Input "PRESSURE? ", F PRGM I/O 1
:B - A → J → is the STO> button in the lower left side
:(C-A)/D/1000 → H / is the division button on right side
:E + 273.15 → I

:F / 760 → G
:GH/I/0.0821 → K
:J/K → L
:ClrHome
:Disp "A B C " PRGM I/O 3 2ND A-LOCK
:Disp A,B,C , is the comma button in the middle of the second column
:Pause PRGM CTL 8:Pause
:Disp "D E F "
:Disp D,E,F
:Pause
:Disp "G H I J K"
:Disp G,H,I,J,K
:Disp "MOLAR MASS L"
:Disp L
:Pause
:Disp "THE End"
Press 2ND QUIT
Your program has been saved
Step 4 Run your program
Press PRGM
Move the cursor down to highlight LABGAS9
Press ENTER
The screen will show prgmLABGAS9
Press ENTER
Now your program is running.
The display will show
LAB09 IDEAL GAS
FLASK A?
Type 83.211
Press ENTER The display will show
FLASK WATER 1?
Type 59.479
FLASK LIQUID
Type 50.376
WATER DENSITY
Type .9973
Press ENTER The screen will show
FLASK METAL
Type 152.047
FLASK MET WATER2
Type 165.541
A B C D F
32.634
59.472
50.376

26.845
.9973
G H I K L
26.91767773
17.742
.6591207525
152.047
165.541
M N O P Q
119.413
13.494
13.53053244
13.38714529
8.919974901
END
Done
If you get these results your program has run successfully.
Step Five Run you program to evaluate the following conditions
Table One Case One Case Two Case Three Case Four Case Five
Liquid
liquid type or
formula
Metal
metal type
characteristic
A = mass of
flask, gram
B = mass of flask
and water, gram
C = mass of flask
and liquid, gram
F = density of
water, gram per
milliliter
K = mass of
flask and metal,
gram
L = mass of
flask, metal and
water 2, gram
write liquid densities to four significant figures and metal densities to three significant figures
Table 2 Results Case One Case Two Case Three Case Four Case Five
I = density of

liquid, gram per
milliliter
Q = density of
metal, gram per
cubic centimeter
Step Six Analysis Answer the following questions.
Rank liquids in order of increasing density.
General statement about size shape of molecule and density
Rank metals in order of increasing density.
General statement about metal and density
Step Seven Critical Thinking Questions Answer the following questions
Why does molecule type affect density?
Why relationship between metal something and density?
How does this program compare to the actual density?

Step One Know Your Application. The densities of liquids and solids can be determined by using a flask
pycnometer. This calculator program follows lab 1 density of liquids and solids.
A = mass of flask, gram J = not used
B = mass of flask and water, gram K = mass of flask and metal, gram
C = mass of flask and liquid, gram L = mass of flask, metal and water 2, gram
D = mass of water 1, gram M = mass of metal, gram
E = not used N = mass of water 2, gram
F = density of water, gram per milliliter O = volume of water 2, milliliters
G = inside volume of flask, milliliter P = volume of metal. milliliters
H = mass of liquid Q = density of metal, gram per cubic centimeter
I = density of liquid, gram per milliliter
Step 3 Enter the following program code into your calculator.(TI-83 or TI-84) Your program is LABDEN
Press PRGM
Move cursor to NEW
Press ENTER
Type LABDEN
Press ENTER
PROGRAM:LABDEN
:ClrHome PRGM I/O 8
:Disp "LAB01 DENSITY" PRGM I/O 3 2ND A-LOCK
:Input "FLASK? ", A PRGM I/O 1
:Input "FLASK WATER1? ", B PRGM I/O 1
:Input "FLASK LIQUID? ",C PRGM I/O 1
:Input "DENSITY? ", F PRGM I/O 1
:Input "FLASK METAL ", K PRGM I/O 1
:Input "FLASK MET WATER2 ", L PRGM I/O 1
:B - A → D → is the STO> button in the lower left side G
:D / F → G / is the division button on right side
:C - A → H
:H / G → I
:K - A → M
:L - K → N
:N / F → O
:G - O → P
: M / P → Q
:Disp "A B C D F" PRGM I/O 3 2ND A-LOCK
:Disp A,B,C,D,F , is the comma button in the middle of the second column
:Disp "G H I K L "
:Disp G,H,I,K,L
:Pause
::Disp "M N O P Q"
:Disp M,N,O,P,Q
:Disp "THE End"

Press 2ND QUIT
Step 4 Run your program
Press PRGM
Move the cursor down to highlight LABDEN
Press ENTER
The screen will show prgmLABDEN
Press ENTER
LAB 1 DENSITY
FLASK?
Type 32.634
FLASK WATER 1?
Type 59.479
FLASK LIQUID
Type 50.376
WATER DENSITY
Type .9973
FLASK METAL
Type 152.047
FLASK MET WATER2
Type 165.541
A B C D F
32.634
59.472
50.376
26.845
.9973
G H I K L
26.91767773
17.742
.6591207525
152.047
165.541
M N O P Q
119.413
13.494
13.53053244
13.38714529
8.919974901

END
Done
Table One Case One Case Two Case Three Case Four Case Five
Liquid
liquid type or
formula
Metal
metal type
characteristic
A = mass of
flask, gram
B = mass of flask
and water, gram
C = mass of flask
and liquid, gram
F = density of
water, gram per
milliliter
K = mass of
flask and metal,
gram
L = mass of
flask, metal and
water 2, gram
write liquid densities to four significant figures and metal densities to three significant figures
Table 2 Results Case One Case Two Case Three Case Four Case Five
I = density of
liquid, gram per
milliliter
Q = density of
metal, gram per
cubic centimeter
Step Six Analysis Answer the following questions.
Rank liquids in order of increasing density.
General statement about size shape of molecule and density
Rank metals in order of increasing density.
General statement about metal and density

Why does molecule type affect density?
Why relationship between metal something and density?
How does this program compare to the actual density?
Clausius-Clapeyron Calculator Program S. J. Boylan August 11, 2014
Step One Know Your Application. The equilibrium between the vapor and the liquid of a pure componemt can
be described by the Clausius-Clapeyron equation.
Consider the vapor of a pure component in contact with the liquid of a pure component.
At equilibrium, the pressure of the vapor phase equals the pressure of the liquid phase. Also, at equilibrium, the
temperature of the vapor phase equals the temperature of the liquid phase. And at equilibrium, the chemical
potential of the vapor phase equals the chemical potential of the liquid phase.
However, at equilibrium the specific volume of the vapor phase is greater than the specific volume of the liquid
phase. And at equilibrium the entropy of the vapor phase is greater than the entropy of the liquid phase.
The Clausius-Clapeyron equation describing the vapor liquid equiilibrium is

ln (P2 / P1 ) = delta Hvap / R * ( 1/ T1 - 1/T2 ) (1)
Rearrange equation (1) to solve for P2.
P2 = P1 * exp [ delta Hvap / R * ( 1/ T1 - 1/T2 ) ] (2)
A = P1 pressure one atm
B = T1 temperature one C
C = P2 pressure two atm
D = temperature two C
E = P3 pressure three atm
F = T3 temperature three C
G = natural logarithm P1 dimensionless
H = temperature one Kelvin
I = reciprocal temperature one 1/T1K
J = natural logarithm P2 dimensionless
K = temperature two Kelvin
L = reciprocal temperature two 1/T2K
M = natural logarithm P3
N = temperature three Kelvin
O = reciprocal temperature three 1/T3K
P = enthalpy of vaporization kilojoules per mole
X = x for graph
Y1 = equation for graph
Step 3 Enter the following program codes into your calculator.(TI-83 or TI-84)
Your first program is CHEMCC
Press PRGM
Move cursor to NEW
Press ENTER
Type CHEMCC
Press ENTER
PROGRAM:CHEMCC
Now enter the following code
:ClrHome PRGM I/O 8
:Disp "CLAUSIUS" PRGM I/O 3 2ND A-LOCK
:Disp "CLAPEYRON" PRGM I/O 3 2ND A-LOCK
:Input "P1? ", A PRGM I/O 1
:Input "T1? ", B PRGM I/O 1
:Input "P2? ",C PRGM I/O 1
:Input "T2? ", D PRGM I/O 1
:Input "T3 ", F PRGM I/O 1
:ln(A) → G → is the STO> button on the lower left side
:B + 273.15 → H

:1 / H → I
:ln (C ) → J
:D + 273.15 → K
:1 / K → L
:F + 273.15 → N
:1 / N → O
: ln(C / A ) * .00831 / ( 1/ H - 1 / K ) → P
:A * e^ (P / .00831 *(1/H - 1 / N ) → E
:ln (E) → M
:Disp "A B C D "
:Disp A,B,C,D
:Pause
:Disp "E F G H "
:Disp E,F,G,H
:Pause
:Disp " I J K L "
:Disp I,J,K,L
:Pause
:Disp "M N O P"
:Disp M,N,O,P
:Pause
:prgm CLEARY PRGM CTL D
:"A * e^ ( P / .00831 * (1/H - 1 / X) " → Y1 VARS Y-VARS 1
:0 → Xmin VARS 1:Window 1:Xmin
:1.1 → Xmax VARS 1:Window 1:Xmax
:0 → Xscl VARS 1:Window 1:Xscl
:0 → Ymin VARS 1:Window 1:Ymin
:1.1 → Ymax VARS 1:Window 1:Ymax
:0 → Yscl VARS 1:Window 1:Yscl
:DispGraph PRGM I/O 4:DispGraph
:"G + P / .00831 * ( I - X ) " → Y1 VARS Y-VARS 1
:0 → Xmin VARS 1:Window 1:Xmin
:110 → Xmax VARS 1:Window 1:Xmax
:0 → Ymin VARS 1:Window 1:Ymin
:1.1 → Ymax VARS 1:Window 1:Ymax
:Disp"THE End"
Press 2ND QUIT
Now enter this program labled CLEARY This program clears Y functions.
Code Progam Hints
:DelVar Y1 PRGM CTL G VARS Y-VARS 1 1

Press 2ND QUIT
Step Four Run Case One nitrogen gas at 273 K
Press PRGM
Move the cursor down to highlight CHEMCC
Press ENTER
The screen will show prgmCHEMCC
Press ENTER
CLAUSIUS
CLAPEYRON
P1?
Type 10
T1?
Type 19.2
P2?
Type 100
T2?
Type 65.7
T3?
Type 45.1
A B C D
10
19.2
100
65.7
E F G H
40
45.1
-4.33073334
292.35
I J K L
.0034205576
-2.028148247
338.85
.0029511583
M N O P
-2.965202297

318.25
.0031421838
40.76377049
Graph of vapor pressure versus temperature
Graph of ln(P) versus 1 / TK
END
Done
Case 1 2 3 4 5
P1 mmHg 10 24 203 101
T1 C 19.2 25 35 25
P2 atm 100 760 325 389
T2 C 65.7 100 45 60
P3 atm [40] [625] [254] [183]
T3 C 45.1 94.5 57 40
delta Hvap [40.7] [42.6] [38.3] [31.8]
molecule Octane water methyl alcohol benzene
formula C8H18 H2O CH3OH C6H6
Step Six Analysis Answer the following questions
Write balanced reaction equations
Rank molecules in order of increasing enthalpy of vaporization
Rank molecules in order of increasing vapor pressure at 20 C
Use program to determine the temperaute at the normal boiling point of 760 mmHg
Why does the enthalpy of vaporization increase
Why if Pvap like it is
why is ln P a function of 1/T
why use Kelvin
How does this simulation compare to the vapor liquid interaction in real world?

Polyprotic Weak Acid Calculator Program Case Studies Coliseum03
Prepared by: S. J. Boylan, Date: July 25, 2011
Step 1 Know your application Polyprotic weak acids conain more than one ionizable hydrogen atom. Examples
of polyprotic weak acids are oxalic acid, carbonic acid and sulfurous acid. In this case study you will represent
these weak acids by two reactions equations. You will then use your program to make a graph showing mole
fractions versus pH and calculate the mole fraction at four pH values.
Step 2 Assign variables. These variables have been assigned for you.
A = Ka1 weak acid equilibrium constant for first ionization
B = Ka2 weak acid equilibrium constant for second ionization
C = pH
D = hydrogen ion concentration
E = total moles of conjugate base H2B + HB- + B2-
F = mole fraction of conjugate base of second ionization B2-
G = mole fraction of conjugate base of first ionization HB-
H = mole fraction of weak acid H2B
Y1 = equation for mole fraction weak acid versus pH
Y2 = equation for mole fraction first conjugate base versus pH
Y3 = equation for mole fraction second conjugate base versus pH
Step 3 Enter the following program code into your calculator.
Your first program is POLYA2
Enter code Programing hints
:ClrHome PRGM I/O 8
:Input "KA1=? ",A PRGM I/O 1
:Input "KA2=? ",B
:Input "PH=? ",C
:10^(-C) sto>D 2ND LOG sto> is on lower left side
:DD+AD+AB sto>E sto> will show as an arrow on display
:DD/E sto>F
:AD/E sto>G

:AB/E sto>H
:ClrHome
:Disp "MOLE FRACTIONS" use 2ND ALPHA for A-LOCK
:Disp "F G H"
:Disp F,G,H
:Pause
:prgmCLEARY PRGM CTL D
:"10^(-2X)/(10^(-2X)+A10^(-X)+AB)"sto>Y1 VARS Y-VARS 1 1
:"A10^(-X)/(10^(-2X)+A10^(-X)+AB)"sto>Y2 VARS Y-VARS 1 2
::"AB/(10^(-2X)+A10^(-X)+AB)"sto>Y3 VARS Y-VARS 1 3
:0 sto>Xmin VARS 1 1
:14 sto>Xmax VARS 1 2
:2 sto>Xscl VARS 1 3
:0 sto>Ymin VARS 1 4
:1 sto>Ymax VARS 1 5
:0.2 sto>Yscl VARS 1 6
:DispGraph PRGM I/O 4
:Line(C,0,C,1) 2ND PRGM DRAW 2
:Pause PRGM CTL 8
:Disp "THE End"
2ND QUIT
Enter a second program labled CLEARY This program clears Y functions.
2ND QUIT
Step 4 Run Case One for Oxalic Acid, H2C2O4 to verify your program is correct.
PRGM EXEC
KA1=? 5.9EE-2
KA2=? 5.2EE-5
PH=? 4.0
Outputs
MOLE FRACTIONS
F G H
.0011138338
.6571619514
.3417242147
Case One Oxalic Acid, H2C2O4
Write the reaction equation for the first ionization of oxalic acid.
_______________________________________________ Ka1 = 5.9EE-2

Write the reaction equation for the second ionization of oxalic acid.
_______________________________________________ Ka2 = 5.2EE-5
Calculate pKa1 = ______________ Calculate pKa2 = ____________________
Determine the mole fractions at the following pH
acidic acidic neutral basic
pH 2.2 5.7 7.1 9.6
F. mole fraction H2C2O4 _______ _______ _______ ______
G. mole fraction HC2O4- _______ _______ _______ _______
H. mole fraction C2O42- _______ _______ _______ _______
Draw the graph of mole fraction versus pH for oxalic acid. Label the points for pKa1 and pKa2.
Step 5 Run Case Two for Carbonic Acid H2CO3
Case Two Carbonic Acid H2CO3 Assume all carbon dioxide in H2CO3 form
Write the reaction equation for the first ionization of carbonic acid.
_______________________________________________ Ka1 = 4.4EE-7
Write the reaction equation for the second ionization of carbonic acid.
_______________________________________________ Ka2 = 4.7EE-11
Calculate pKa1 = ____________ Calculate pKa2 = ________________
Draw the graph of mole fraction versus pH for carbonic acid. Label the points for pKa1 and pKa2.
pH 2.2 5.7 7.1 9.6

F. mole fraction H2CO3 _______ _______ ________ ________
G. mole fraction HCO3- _______ _______ ________ ________
H .mole fraction CO32- _______ _______ ________ ________
Step 6 Run Case for Three Sulfurous Acid H2SO3
Case Three Sulfurous Acid H2SO3
Write the reaction equation for the first ionization of sulfurous acid.
_______________________________________________ Ka1 = 1.7EE-2
Write the reaction equation for the second ionization of sulfurous acid.
_______________________________________________ Ka2 = 6.0EE-8
Calculate pKa1 = ____________ Calculate pKa2 = ___________________
pH 2.2 5.7 7.1 9.6
F. mole fraction H2SO3 _______ _______ ______ ______
G. mole fraction HSO3- _______ _______ ______ ______
H .mole fraction SO32- _______ _______ ______ ______
Draw the graph of mole fraction versus pH for sulfurous acid. Label the points for pKa1 and pKa2.
Step 7 Answer the following questions.
6.1 For the sulfurous acid system, how does increasing the pH affect the distribution of mole fractions?
6.2 Describe the relation between the values of pKa1 and pKa2, pH and the distribution of mole fractions.
6.3 These systems are ideal systems What would be some of the differences between these ideal systems and real
system you will encounter?

6.4 A beaker contains some oxalic acid solution. The solution has a pH of 8.9. Use you graph to estimate the
mole fractions of the species present.
6.5 You are asked to make a solution oxalic acid that contains mostly HC2O4-. What pH range would you
suggest for this solution?
Gas Speed from Kinetic Theory Calculator Program CP004
Written by: S. J. Boylan, Date: April 17, 2014
Prepared by: _______________________________ Date: ____________
Step 1 Know your application Use this program to evaluate the effect of temperature and molar mass on the
average gas speed. In this program, molecules are modeled as point masses and all the energy is considered as
translation.
The number density function for the distribution of gas speeds is
The energy, E1, of a moving mass in translation is given by
The energy, E2, as related to temperature is given by
This simulation differs from real gases in that real gases also have energy in vibration and rotation. Also real gas
molecules are not point masses.
A = molar mass of a gas in grams per mole
B = Boltzmann’s constant, 1.38062 x 10-23
C = temperature in Kelvin
D = Avogadro's number, 6.022 x 1023
E = average gas speed, meters per second
X = gas velocity meters per second
Y1 = equation for number of molecules versus velocity
Your first program is CHEMGV
Press PRGM
Move cursor to NEW

Press ENTER
Type CHEMGV
Press ENTER
PROGRAM:CHEMGV
:ClrHome PRGM I/O 8
:Disp "GAS VELOCITIES" PRGM I/O 3 2ND A-LOCK
:Input "MOLAR MASS?_",A PRGM I/O 1 2ND A-LOCK
:Input "TEMPERATURE?_",C PRGM I/O 1 2ND A-LOCK
:1.38062E-23 sto> B E is 2ND EE sto> button lower left
:6.022E23 sto> D
:(8BC/π/A/.001*D)^.5 sto> E
:prgmCLEARY PRGM CTL D
:"1E5*4π(A*.001/D/2/π/B/C)^(3/2)*
e^(-A*.001/DX^2/2/B/C)*X^2" sto> Y1 VARS Y-VARS 1
:0 sto> Xmin VARS 1:Window 1:Xmin
:3000 sto> Xmax VARS 1:Window 1:Xmax
:500 sto> Xscl VARS 1:Window 1:Xscl
:0 sto> Ymin VARS 1:Window 1:Ymin
:250 sto> Ymax VARS 1:Window 1:Ymax
:50 sto> Yscl VARS 1:Window 1:Yscl
:Line(E,0,E,250) 2ND DRAW 2:Line(
:Text(1,6,"TEMPERATUE_",C) 2ND DRAW 0:Text(
:Text(7,13,"MOLAR MASS_",A) 2ND DRAW 0:Text(
:Text(14,1,"AVERAGE_SPEED_",E) 2ND DRAW 0:Text(
:Disp"THE End"
Press 2ND QUIT
Code Progam Hints
Press 2ND QUIT

Step Four Run your program with the following inputs
Press PRGM
Highlight CHEMGV
Press enter
prgm CHEMGV
Press enter
GAS VELOCITIES
MOLAR MASS?
Type 28.02
Press enter
TEMPERATURE?
Type 273
Press enter
The screen will show the following graph.
Press enter
MOLAR MASS 28.02
TEMPERATURE 273
AVERAGE SPEED 454.17662
Press enter
THE END
DONE
Step Five Run the program to evaluate the following conditions
Press prgm
Highlight CHEMGV

Press ENTER
Screen will show prgmCHEMGV
Press ENTER
You are now running the program. Do all cases. And draw each graph from the calculator on the graph below.
Table One – Input these values
Case 1
baseline
Case 2 Case 3 Case 4
Molecule Nitrogen Oxygen Oxygen Hydrogen
Temperature
K
273 273 1273 273
Molar Mass
grams per
mole
28.02 32.00 32.00 2.016
Table Two – Write the outputs here. Round to three significant figures.
Case 1
baseline
Average
Speed,
Meters per
second
454
Draw all the graphs from the calculator on the graph below.

Step Six Analysis Answer the following Questions
6.1 What is the effect on average speed of increasing the temperature from 273 K in case two to 1273 K in case
three.
_____________________________________________________________________
6.2 What is the effect on shape of the probability curve of increasing the temperature from 273 K in case two to
1273 K in case three.
_______________________________________________________________________
6.3 What is the effect on average speed of decreasing the molar mass from 32.00 in case two to 2.016 in case
four.
_______________________________________________________________________
6.4 What is the effect on shape of the probability curve of decreasing the molar mass from 32.00 in case two to
2.016 in case four.
_______________________________________________________________________
6.5 Which general statement is supported by this program. Circle one.
A. With the same molar mass, increasing temperature will increase average speed.
B. With the same molar mass, increasing temperature will decrease the average speed.
A. At the same temperature, increasing molar mass will increase average speed.
B. At the same temperature, increasing molar mass will decrease the average speed.
Step Seven Critical Thinking Answer the following questions
7.1 Why does changing temperature change the average speed and distribution ?
To answer this question, set E1 equal to E2 and solve for gas speed.
7.2 Why does changing molar mass change the average speed and distribution?
To answer this question, set E1 equal to E2 and solve for gas speed.

7.3 How does this simulation and model of gas speed differ from actual gas speeds?
The answer to this question is in step one.
References
1. Masterton, W. L., Hurley, C. N., Neth, E. J., Chemistry Principles and Reactions Seventh Edition
Brooks/Cole Delmont, CA 2012 page 145
2. Moore, W. J., Physical Chemistry Fourth Edition Prentice-Hall, Inc. Englewood Cliffs, New Jersey 1972 page
140

Zinc Ammonia Complex Ion in Aqueous Solution – Calculator Program CP004,
Prepared by Stephen Joseph Boylan January 2014
Name: ________________________________________ Date: ______________
Step One Know Your Application
Zinc (II) ion forms complex ions with ammonia in aqueous solutions according to the following stepwise
equations.
Zn2+
(aq) + NH3 (aq)  Zn(NH3)2+
(aq) K1 = [Zn(NH3)2+
] / ( [Zn2+
] [NH3]) (1)
Zn(NH3)2+
(aq) + NH3 (aq)  Zn(NH3)2
2+
(aq) K2 = [Zn(NH3)2
2+
] / ([Zn(NH3)2+
] [NH3]) (2)
Zn(NH3)2
2+
(aq) + NH3 (aq)  Zn(NH3)3
2+
(aq) K3 = [Zn(NH3)3
2+
] / ([Zn(NH3)2
2+
] [NH3]) (3)
Zn(NH3)3
2+
(aq) + NH3 (aq)  Zn(NH3)4
2+
(aq) K4 = [Zn(NH3)4
2+
] / ([Zn(NH3)3
2+
] [NH3]) (4)
With this calculator program you will explore the effects different ammonia concentrations and equilibrium
constants on the distribution of the zinc ammonia complex ions. The distribution will be shown by the mole
fraction, alpha, of each constituent.
Step Two – Assign Variables.Thevariableshavealreadybeenassigned.
A = K1 equilibrium constant
B = K2 equilibrium constant
C = K3 equilibrium constant
D = K4 equilibrium constant
E = beta 1
F = beta 2
G = beta 3
H = beta 4
I = [NH3] molarity of ammonia molecule mole NH3 per liter
X = log [NH3]
Y1 = alpha 1 mole fraction Zn2+
Y2 = alpha 2 mole fraction Zn(NH3)2+
Y3 = alpha 3 mole fraction Zn(NH3)2
2+
2+
2+
Step Three Enter the following program code in your calculator
Press PRGM
Move cursor to NEW
Press ENTER
Type ZINCA
Press ENTER
PROGRAM :ZINCA

Code Program hints
:Input “K1 = “,A PRGM I/O Input ALPHA “ , is a button
:Input “K2 = “,B
:Input “K3 = “,C
:Input “K4 = “,D
:Input “NH3 MOLARITY I “,I 2ND
A-LOCK
:A -> E -> is the STO button
:AB -> F
:ABC -> G
:ABCD -> H
:-5 -> Xmin - is (-) VARS 1:Window 1:Xmin
:0 -> Xmax VARS 1:Window 2:Xmax
:1 -> Xscl VARS 1:Window 3:Xscl
:0 -> Ymin VARS 1:Window 4:Ymin
:1 -> Ymax VARS 1:Window 5:Ymax
:0.2 -> Yscl VARS 1:Window 6:Yscl
:prgm CLEARY
:”1/(1 + E10^(X) + F10^(2X) + G10^(3X) + H10^(4X))” -> Y1 10^ is 2nd
LOG Y1 is VARS Y-VARS 1
:” E10^(X) /(1 + E10^(X) + F10^(2X) + G10^(3X) + H10^(4X))” -> Y2 Y2 is VARS Y-VARS 2
:” F10^(2X) /(1 + E10^(X) + F10^(2X) + G10^(3X) + H10^(4X))” -> Y3 Y3 is VARS Y-VARS 3
:” G10^(3X) /(1 + E10^(X) + F10^(2X) + G10^(3X) + H10^(4X))” -> Y4 Y4 is VARS Y-VARS 4
:” H10^(4X)/(1 + E10^(X) + F10^(2X) + G10^(3X) + H10^(4X))” -> Y5 Y5 is VARS Y-VARS 5
:DispGraph PRGM I/O DispGraph
:Log(I) -> X
:Vertical X 2nd
DRAW 4:Vertical
:Disp “I,Y1,Y2” PRGM I/O 3:Disp VARS Y-VARS 1:Function
:Disp I,Y1,Y2
:Pause
:Disp “Y3,Y4,Y5”
:Disp Y3,Y4,Y5
:Pause
:Disp “THE END”
Press 2ND
QUIT. Your program has been saved.
Now enter this program labled CLEARY This program clears the Y functions
Code Program Hints
:DelYar Y1 PRGM CTL G VARS Y-VARS 1 1
Press 2ND
QUIT Your program has been saved.

Press PRGM
Highlight ZINCA
Press enter
prgm ZINCA
Press enter
K1 186A
Type 186
Press enter
K2 219B
Type 219
Press enter
K3 251C
Type 251
Press enter
K4 112D
Type 112
Press enter
NH3 MOLARITY I
Type 0.001
Press enter
Press ENTER
The screen will show the results for the baseline case

I, Y1, Y2
.001 __________________________
.807687017_____________________
.1502297852_____________________
Press ENTER
The screen will show the following for the baseline case
Y4, Y5, Y6
.0329003229_________________________
.0082579811_________________________
9.248938787E-4______________________
Press ENTER
THE END
And if you get these results then your program has run successfully.
Inputs
Case 1 baseline Case 2 Case 3 Case 4 Case 5
K1 = A 186 186 186 151 10000
K2 = B 219 219 219 177 1000
K3 = C 251 251 251 204 100
K4 = D 112 112 112 91 10
NH3
MOLARITY = I
0.001 0.01 0.1 0.001 0.001
Table Two – Write the outputs here. Show 3 places after the decimal point.
Y1 = alpha 1
Y2 = alpha 2
Y3 = alpha 3
Y4 = alpha 4
Y5 = alpha 5

6.1 What is the effect of increasing the ammonia concentration by a factor of 10 from case 1 to case 2?
6.2 What is the effect of increasing the ammonia concentration by a factor of 100 from case 1 to case 3?
6.3 What is the effect of decreasing the equilibrium constants in case 4?
6.4 What is the effect of changing the equilibrium constants in case 5?
7.1 Why does changing the ammonia concentrations change the distribution of the complex ions? Why did the
distribution change in the direction that it did?
7.2 Why does changing the equilibrium constants change the distribution of complex ions? What kind of a change
to the system does this change in equilibrium constants represent?
7.3 Which form of zinc ammonia complex ion is the most stable? How does the stability of each of the complex
ions compare?
7.4 How does this simulation of the zinc ammonia complex ion system compare and contrast to performing the
same experiments in the lab?

Phosphoric Acid – Calculator Program CP006,
Prepared by Stephen Joseph Boylan February 2014
Name: ________________________________________ Date: ______________
Phosphoric acid is a polyprotic weak acid that forms multiple ions in aqueous solutions according to the
following stepwise equations.
H3PO4 (aq)  H+
(aq) + H2PO4
-
(aq) Ka1 = ([H+
] [H2PO4
-
]) / [H3PO4] (1)
H2PO4
-
(aq)  H+
(aq) + HPO4
2-
(aq) Ka2 = ([H+
] [HPO4
2-
]) / [H2PO4
-
] (2)
HPO4
2-
(aq)  H+
(aq) + PO4
3-
(aq) Ka3 = ([H+
] [PO4
3-
]) / [HPO4
2-
] (3)
Ka1 , Ka2 , and Ka3 are the equilibrium constants for each of the reactions. Increasing the equilibrium constants
will shift the reactions to the product side. This will shift the distribution of ions to the more ionized constituents.
With this calculator program you will explore the distribution of the phosphate ion at different values of pH. The
distribution will be shown by the mole fraction, MF, of each constituent.
Step Two – Assign variables.Thevariableshavealreadybeenassigned.
A = Ka1 equilibrium constant
B = Ka2 equilibrium constant
C = Ka3 equilibrium constant
D = pH
E = pKa1
F = pKa2
G = pKa3
Y1 = MF mole fraction H3PO4
Y2 = MF mole fraction H2PO4
-
Y3 = MF mole fraction HPO4
2-
Y4 = MF mole fraction PO4
3-
Press PRGM
Move cursor to NEW
Press ENTER
Type PHOSP
Press ENTER
PROGRAM :PHOSP
Code Program hints
:Input “KA1 ? “,A PRGM I/O Input ALPHA “ , is a button ? is a character
:Input “KA2 ? “,B
:Input “KA3 ? “,C
:Input “PH ? “,D
:prgm CLEARY
:” 10^(-3X) /( 10^(-3X) + A10^(-2X) + AB10^(-X) + ABC)” -> Y1 10^ is 2nd
LOG Y1 is VARS Y-VARS 1

:” A10^(-2X) /( 10^(-3X) + A10^(-2X) + AB10^(-X) + ABC)”))” -> Y2 Y2 is VARS Y-VARS 2
:” AB10^(-X) /( 10^(-3X) + A10^(-2X) + AB10^(-X) + ABC)” -> Y3 Y3 is VARS Y-VARS 3
:” ABC /( 10^(-3X) + A10^(-2X) + AB10^(-X) + ABC)” -> Y4 Y4 is VARS Y-VARS 4
:-log(A)->E
:-log(B)->F
:-log(C)->G
:Disp “PKA1 = “,E
:Disp “PKA2 = “,F
:Disp “PKA3 = “,G
:Pause
:0 -> Xmin - is (-) VARS 1:Window 1:Xmin
:.2 -> Yscl VARS 1:Window 6:Yscl
:Line(D,0,D,1)
:Pause
:D->X
:Disp ”MF H3PO4 “,Y1
:Disp ”MF H2PO4 – “,Y2
:Pause
:Disp ”MF HPO4 2– “,Y3
:Disp ”MF PO4 3– “,Y4
:Disp “THE END”
Press 2ND
Code Program Hints
Press 2ND
Press PRGM
Highlight PHOSP
Press enter
prgm PHOSP
Press enter

KA1 ?
Type 7.5 E -3
Press enter
KA2 ?
Type 6.2 E -8
Press enter
KA3 ?
Type 4.8 E -13
Press enter
PH ?
Type 6.5
Press enter
PKA1 =
2.124938737
PKA2 =
7.207608311
PKA3 =
12.31875876
Press ENTER
Press ENTER
The screen will show the results for the baseline case
MF H3PO4
3.52508758E-5
MF H2PO4 –
.8360449278
Press ENTER
MF HPO4 2–
.1639165725

MF PO4 3–
2.488078633E-7
Press ENTER
THE END
Inputs
Case 1 Case 2 Case 3 Case 4 Case 5 Case 6
1. KA1 7.5 x 10^-3 7.5 x 10^-3 7.5 x 10^-3 7.5 x 10^-3 7.5 x 10^-3 7.5 x 10^-2
2. KA2 6.2 x 10^-8 6.2 x 10^-8 6.2 x 10^-8 6.2 x 10^-8 6.2 x 10^-8 6.2 x 10^-7
3. KA3 4.8 x 10^-13 4.8 x 10^-13 4.8 x 10^-13 4.8 x 10^-13 4.8 x 10^-13 4.8 x 10^-12
4. PH 1.05 6.5 7.2076 9.00 13.5 6.5
Table Two – Write your outputs here. Show numbers to three significant figures.
Case 1 Case 2 Case 3 Case 4 Case 5 Case 6
1. PKA1
2. PKA2
3. PKA3
4. MF H3PO4
5.
MF H2PO4 -
6. MF HPO4
2-
7. MF PO4 3-
8. Total MF
6.1 For each of the cases in Table One and Table Two, circle the largest mole fraction, MF, on Table 2.
For each case, add all the mole fractions together and write the sum of the mole fractions in row 8. Total MF.
6.2 For case 1, at a pH of 1.05, circle the constituent with the largest mole fraction.
H3PO4 H2PO4
-
HPO4
2-
PO4
3-
H3PO4 H2PO4
-
HPO4
2-
PO4
3-
H3PO4 H2PO4
-
HPO4
2-
PO4
3-

H3PO4 H2PO4
-
HPO4
2-
PO4
3-
H3PO4 H2PO4
-
HPO4
2-
PO4
3-
6.7 How does mole fraction, MF, correspond to pH? Describe the distribution of constituents as a function of
pH.
6.8 What is the effect of increasing the equilibrium constants from case 2 to case 6? Describe the type of change
which would cause this effect.
7.1 In a aqueous solution, describe the stability of phosphoric acid and the phosphate ion. Which form of
phosphate ion is the most stable? How does the stability of each phosphate ion compare?
7.2 Why does pH effect the distribution of phosphate ion the way it does?
7.3 How does this simulation of the phosphoric acid system compare and contrast to performing the same
experiments in the lab?

Ammonia Reactor – Calculator Program CP007,
Prepared by Stephen Joseph Boylan March 2014
Name: ________________________________________ Date: ______________
Ammonia is made from hydrogen and nitrogen gases in an isothermal heterogeneous catalytic reactor by the
following reactor equation.
N2 (g) + 3 H2(g)  2 NH3 (g) K = PNH3
2
/ ( PN2 PH2
3
) (1)
Use this calculator program to explore the operations of the reactor to make ammonia.
Step Two – Assign variables.Thevariableshavealreadybeenassigned.
A = Mole Fraction H2________________________________________________
B = Mole Fraction N2________________________________________________
C = Mole Fraction NH3_______________________________________________
D = Mole Fraction CH4_______________________________________________
E = Mole Fraction Ar ________________________________________________
F = Total Moles _____________________________________________________
G = Pressure atm ____________________________________________________
H = Temperature K __________________________________________________
I = Fugacity Coefficient nitrogen _______________________________________
J = Fugacity Coefficient Hydrogen ______________________________________
K = Fugacity Coefficient Ammonia _____________________________________
L = K Equilibrium Coefficient _________________________________________
M = Effectiveness Factor _____________________________________________
N = Rate of Reaction _________________________________________________
O = _______________________________________________________________
P = _______________________________________________________________
Q = _______________________________________________________________
R = _______________________________________________________________
S = _______________________________________________________________
T = _______________________________________________________________
U = _______________________________________________________________
V = _______________________________________________________________
W = _______________________________________________________________
X = _______________________________________________________________
Y = _______________________________________________________________
Z = _______________________________________________________________
Press PRGM
Move cursor to NEW
Press ENTER
Type AREACT
Press ENTER
PROGRAM :AREACT

Code Program hints
:Input “A ? “,A PRGM I/O Input ALPHA “ , is a button ? is a character
:Input “B ? “,B
:Input “C ? “,C
:Input “D ? “,D
:Input “E ? “,E
:Input “F ? “,F
:Input “G ? “,G
:Input “H ? “,H
:prgm CLEARY
:Pause
:0 -> Xmin - is (-) VARS 1:Window 1:Xmin
:.2 -> Yscl VARS 1:Window 6:Yscl
:Disp “THE END”
Press 2ND
Code Program Hints
Press 2ND
Press PRGM
Highlight AREACT
Press enter
prgm AREACT
Press enter
Press ENTER
THE END
Inputs
Case One
Inputs
Case One
Outputs
Case Two
Inputs
Case Two
Outputs
Case Three
Inputs
Case Three
Outputs

A Mole
Fraction H2
B Mole
Fraction N2
C Mole
Fraction NH3
D Mole
Fraction CH4
E Mole
Fraction Ar
F Total Moles
G Pressure
atm
H
Temperature
K
I Fugacity
Coefficient
nitrogen
J Fugacity
Coefficient
Hydrogen
K Fugacity
Coefficient
Ammonia
L K
Equilibrium
Coefficient
M
Effectiveness
Factor
N Rate of
Reaction
O
P
Q
R
S
T
U
V
W
X
Y
Z
6.1 What is the effect of increasing the mole fraction of nitrogen from case one to case two?

6.2 What is the effect of increasing the temperature from case one to case three?
6.3 What is the effect of increasing the length of the reactor rom case one to case four?
7.3 How does this simulation of the phosphoric acid system compare and contrast to performing the same
experiments in the lab?

Intermolecular Forces Lennard-Jones 6 – 12 Potential Calculator Program CP012,
Prepared by Stephen Joseph Boylan July 2014
Name: ________________________________________ Date: ______________
“As a consequence of the interactions between the electric fields of the negative electrons and the positive nuclei
from which the molecules are constructed, there are forces of interaction between any pair of molecules, which
depend on the nature of the molecules and the distance separating them.”
Lennard-Jones 6-12 potential equation
With this calculator program you will explore the effects different maximum energy of attraction and distance
roots of the Leonard-Jones 6-12 potential equation on the intermolecular potential energy.
Step Two – Assign variables. These variables have already been assigned for you. You do not need to add
anything in step two.
A = molar mass, grams per mole maximum attraction depth of potential well
B = maximum depth of potential well,
C = value of r where U( r ) = 0 and r not equal to infinity, angstroms
D = energy potential per gram
E = distance per gram
F = distance at bottom of potential well, angstroms
G = distance to evaluate potential, angstroms
H = energy at distance G
X = intermolecular distance
Y1 = energy of repulsion, U( r ) repulsion
Y2 = energy of attraction, U( r ) attraction
Y13 = total energy, Y1 + Y2
Press PRGM
Move cursor to NEW
Press ENTER
Type LENJO126
Press ENTER

PROGRAM :LENJO126
Code Program hints
:ClrHome PRGM I/O ClrHome
:Disp ”LENNARD-JONES”
:Disp “6 – 12 POTENTIAL”
:Disp “ “;
:Input “MOLAR MASS ? “, A PRGM I/O Input 2ND
A-LOCK ALPHA “ , is a button
:Input “ENERGY ? “, B PRGM I/O Input ALPHA “ , is a button
:Input “DISTANCE ? “, C PRGM I/O Input ALPHA “ , is a button
:B / A  D press divide for press STO for 
:2^(1/6)* C  F press STO for 
:0.450  G
:prgm CLEARY
:”4B(C/X)^12”  Y1 Y1 is VARS Y-VARS 1
:”-4B(C/X)^6 ”  Y2 Y2 is VARS Y-VARS 2
:” Y1 + Y2 ”  Y3 Y3 is VARS Y-VARS 3
:G  X
: Y1  H
:0.2  Xmin VARS 1:Window 1:Xmin
:1  Xmax VARS 1:Window 2:Xmax
: 0.2  Xscl VARS 1:Window 3:Xscl
: -220  Ymin VARS 1:Window 4:Ymin
: 50  Ymax VARS 1:Window 5:Ymax
: 50  Yscl VARS 1:Window 6:Yscl
:Pause PRGM CTL
:Disp”U/MM D “, D
:Disp”R/MM E “, E
:Disp”R WELL F “,F
:Pause
:Disp “G “,G
:Disp “H “,H
:Pause
:Disp “THE END”
Press 2ND
Now enter this program labeled CLEARY. This program clears the Y functions
Code Program Hints

Press 2ND
Press PRGM
Highlight LENJO126
Press enter
prgm LENJO126
Press enter
LENNARD-JONES
6 – 12 POTENTIAL
MOLAR MASS ?
type 2.016
press ENTER
the screen will show
ENERGY ?
type 37.00
press ENTER
DISTANCE ?
type 0.2928
press ENTER
The screen will show the following graph
press enter
U/MM
36.0706349221
R/MM
.3286568877
R WELL
.32888888888
press ENTER
G

.45
H
-10.37861644
press ENTER
THE END
DONE
Inputs
Molecule Hydrogen Nitrogen Oxygen Helium Carbon Dioxide
Formula H2 N2 O2 He CO2
Structure Linear Linear Linear Atom Linear
Molar Mass (A) 2.016 28.02 32.00 4.008 44.01
Maximum
energy of
attraction ε (B)
37.00 95.05 117.5 10.27 189
Intermolecular
distance for
U( r ) = 0 (C)
R
0.2928 0.3696 0.358 0.2556 0.4486
Table Two – Write the outputs here. Show 4 significant figures.
Energy per
Molar Mass
U/MM (D)
Distance per
Molar Mass
R/MM (E)
Energy at Well
R WELL (F)
Examination
Distance
(G)
Energy at G (H)
Slope of Energy
Curve at
Examination
Distance (I)
6.1 Draw a graph of the maximum depth of the potential well versus the molar mass. How does the maximum
depth of the potential well correlate with molar mass?

6.2 Draw a graph of Energy at Well, R WELL (F), versus molar mass. How does the R WELL (F), correlate
with molar mass?
6.3 Draw a graph of Energy at Well, R WELL (F), versus distance molar mass. How does the R WELL (F),
correlate with molar mass?
6.4 What is the effect of the structure on the energy well and the distance?
7.1 Why does the molar mass effect the energy well and the distance?
7.2 Why does changing the
7.3 How does this simulation of the intermolecular forces compare and contrast to a real gas?

8.0 References
1. Moore, W.J., Physical Chemistry fourth addition Prentice-Hall, Inc. Englewood Cliffs, New Jersey 1972
pages 128 and 158

Cannon Shot Calculator Program SJBoylan January2016
Prepared by: _______________________________ Date: ____________
Step 1 Know your application Use this program to
This simulation differs from real cannon shot
A = ____________________________
B = ___________________________
C = ___________________________
D = ___________________________
E = ___________________________
X = ___________________________
Y1 = equation for
Your first program is CANNON
Press PRGM
Move cursor to NEW
Press ENTER
Type CANNON
Press ENTER
PROGRAM:CANNON
:ClrHome PRGM I/O 8
:Disp "CANNON" PRGM I/O 3 2ND A-LOCK
:"tan(D)X-32.2/2(Ccos(D))2
*X2
" sto> Y1 VARS Y-VARS 1
:0 sto> Xmin VARS 1:Window 1:Xmin
:6000 sto> Xmax VARS 1:Window 1:Xmax
:0 sto> Xscl VARS 1:Window 1:Xscl
:0 sto> Ymin VARS 1:Window 1:Ymin
:5000 sto> Ymax VARS 1:Window 1:Ymax
:50 sto> Yscl VARS 1:Window 1:Yscl
:Input "TARGET_X_",E PRGM I/O 1 2ND A-LOCK
:Input "TARGET_Y_",F PRGM I/O 1 2ND A-LOCK
:1sto> K
:While K=1
:ClrDraw
:ClrHome
:Disp “ENTER “
:Input "VELOCITY ",C PRGM I/O 1 2ND A-LOCK
:Input "ANGLE ",D PRGM I/O 1 2ND A-LOCK

:Circle(E,F,100)
:E sto>X
:If Y1 > .99F and Y1<1.01F
:Then
:Text (5,5,” HIT “)
:Else
:Text (5,5,”MISS”)
:End
:Text(11,5,”VELOCITY = “,C)
:Text(17,5,”ANGLE = “,D)
:Text(23,5,”TARGET X,Y = “,E,”’ “,F)
:Pause
:ClrHome
:Input “ENTER 1 TO FIRE “,K
:End
:Disp “THE End”
Press 2ND QUIT
Code Progam Hints
Press 2ND QUIT
Press PRGM
Highlight CANNON
Press enter
prgm CANNON
Press enter
Type _____________
Press enter
Type ______________________

Press enter
Press enter
HIT
VELOCITY
ANGLE
TARGET X,Y =
Press enter
THE END
DONE
Press prgm
Highlight CANNON
Press ENTER
Screen will show prgmCANNON
Press ENTER
You are now running the program. Do all cases. And draw each graph from the calculator on the graph below.
Case 1
baseline
Target X
Target Y
Velocity 2.016
Angle

Table Two – Write the outputs here. Round to three significant figures.
Case 1
baseline
Average
Speed,
Meters per
second
454
Draw all the graphs from the calculator on the graph below.
6.1 What is the effect on _________ of increasing the velocity from _____ in case two to ____ in case three.
_____________________________________________________________________
6.2 What is the effect on shape of the trajectory
_______________________________________________________________________
A. ________________________________
B. _____________________________________
7.1 Why does changing velocity change the ____________ ?
7.3 How does this simulation and model of gas speed differ from actual gas speeds?
The answer to this question is in step one.

Simplest Formula Calculator Program SJBoylan2015
Name: ________________________________________ Date: ______________
Step One - Know Your Application The simplest formula and the molecular formula can be calculated from
analysis of a combustion reaction and the molar mass.
Apiose also called tetrahydroxyisovaleraldehyde first found in parsley.
A =
B =
C =
D =
E =
F =
G =
H =
I =
J =
K =
L =
M =
N =
O =
P =
Q =
R =
S =
X =
Y =
Z =
Press PRGM
Move cursor to NEW
Press ENTER
Type CHE070
Press ENTER
PROGRAM :CHE070
Code Program hints
: ClrHome PRGM I/O ClrHome
: Prompt A,B,C,D PRGM I/O Prompt
: B12.01/44.01  E press STO for 
: C2.016/18.02  F
: A - E - F  G

: E / 12.01  H
: F / 1.008  I
: G / 16.00  J
: min (H,I)  K MATH NUM min(
: min (K,J)  K
: H/K  L
: I / K  M
: J / K  N
: round (L,0)  O MATH NUM round(
: round (M,0)  P
: round (N,0)  Q
: O12.01 + P1.008 + Q16.00  R
: D/R  S
: round (S,0)  T MATH NUM round(
: TO  U
: TP  V
: TQ  W
: Disp “ O P Q “ PRGM I/O Disp
: Disp O,P,Q
: Pause
: Disp “U V W “
: Disp U,V,W
: Pause PRGM CTL Pause
: Disp “THE END”
Press 2ND
Press PRGM
Highlight CHE070
Press enter
prgm CHE070
Press enter
A=?
type 15.03
press ENTER
B=?
type 34.17
press ENTER
C=?
type 14.00
press ENTER
D=?
type 116.15
press ENTER
O,P,Q
3
6
1

U V W
6
12
2
presss ENTER
THE END
Done
Case 1 baseline Case 2 Case 3 Case 4
Name of
Compound
Ethyl butyrate Apiose
2 Ethoxyethel
acetate
Smells
Like
pineapple parsley lacquer
Grams of
Sample
A
15.03 2.645 2.701
Grams of
Carbon Dioxide
B
34.17 3.877 5.397
Grams of Water
C
14.00 1.587 2.210
Molar Mass of
Compound
116.15 150.13 132.16
Subscript
Carbon
3
Hydrogen
Subscript
6
Oxygen
Subscript
1
Simplest
Formula
C 3 H 6 O 1 C _ H _ O__ C _ H _ O__ C _ H _ O__
Subscript
Carbon
6
Hydrogen
Subscript
12
Oxygen
Subscript
2
Molecular
Formula
C 6 H 12 O2 C _ H _ O__ C _ H _ O__ C _ H _ O__
6.1 What is the compound formula for the hydrate of copper(II) chloride? Also write the color and the crystal
structure of the hydrate compound.

7.1 What are the four steps to identify the compound formula of a metal anion hydrate?
7.2 How does this analysis and program compare to doing the calculations by hand?
8.0 References
1. Masterton and Hurle, Chemstry
2. Merck Index

Formula Calculator Program Lab 4 SJBoylan2015A
Name: ________________________________________ Date: ______________
Step One - Know Your Application Solid hydrate compounds are metal anion salts that include water of
hydration.
Copper (II) chloride forms a hydrate compound that is blue to green and has an orthorhombic crystal
structure. Nickel (II) chloride forms a hydrate compound of green crystals with a monoclinic crystal structure.
Cobalt (II) chloride forms a hydrate compound that is pink to red with a monoclinic crystal structure and also a
different hydrate compound that is violet to blue. Chromic (III) chloride forms a hydrate compound that is violet
and has a rhombohedral crystal structure. One of the hydrate compounds of chrome is named
hexaaquochromium trichloride.
The compound formula of a hydrate compound can be identified by a four step analysis. The first step is
to evaporate the water of hydration. The second step is to reduce the metal. The third step is to recover the metal
by filtering. The final step is to dry the metal.
With this calculator program you will identify the compound formulas of the hydrates by analyzing the
data from typical experiments.
A = atomic mass of metal
B = atomic mass of anion
E = mass of crucible, gram
F = mass of crucible and hydrated sample, gram
G = mass of hydrated sample, gram
H = mass of crucible and dehydrated sample, gram
I = mass of dehydrated sample, gram
J = mass of filter paper, gram
K = mass of filter paper and metal, gram
L = mass of metal, gram
M = moles of metal, mol
N = mass of water, gram
O = moles of water, mol
P = mass of anion, gram
Q = moles of anion, mol
R = mole ratio anion to metal, chlorine to copper
S = mole ratio ligand to metal, water to copper
X = metal subscript
Y = anion subscript
Z = coefficient for water of hydration
Press PRGM
Move cursor to NEW
Press ENTER
Type LAB04
Press ENTER
PROGRAM :LAB04
Code Program hints

:ClrHome PRGM I/O ClrHome
:35.45  B press STO for 
:Prompt A,E,F,H,J,K PRGM I/O Prompt
:F - E  G press STO for 
:H - E  I
:K - J  L
:L/A  M press divide for press STO for 
:F - H  N
:N/18.02  O
:I - L  P
:P/B  Q
:Q/M  R
:O/M  S
:1  X
:round(R,1)  Y MATH NUM round(
:round(S,1)  Z
:Disp “METAL”,X PRGM I/O Disp
:Disp ”ANION”,Y
:Disp ”WATER”,Z
:Pause PRGM CTL Pause
:Disp “THE END”
Press 2ND
Press PRGM
Highlight LAB04
Press enter
prgm LAB04
Press enter
A=?
type 63.55
press ENTER
E=?
type 34.187
press ENTER
F=?
type 35.250
press ENTER
H=?
type 35.025
press ENTER
J=?
type 0.324
press ENTER
K=?
type 0.723
press ENTER
METAL

1
ANION
2
WATER
2
press ENTER
THE END
Done
Metal Copper Cu Cobalt Co Nickel Ni Chromium Cr
Atomic Mass of
Metal, A
63.55 58.93 58.70 52.00
E = mass of
crucible, gram 34.187 35.729 34.215 36.002
F = mass of
crucible and
hydrated
sample, gram
35.250 36.824 35.244 37.104
H = mass of
crucible and
dehydrated
sample, gram
35.025 36.326 34.775 36.657
J = mass of filter
paper, gram 0.327 0.349 0.305 0.318
K = mass of
filter paper and
metal, gram 0.723 0.620 0.559 0.533
Moles of Metal 1
Ratio Moles of
Anion to Metal
2
Ratio Moles of
Water to Metal
2
Compound
Formula
Cu1Cl2.2H2O
Step Six Analysis Answer the following Questions. The answers to these questions are in step one on the first
page of this work sheet.

6.1 What is the compound formula for the hydrate of copper(II) chloride? Also write the color and the crystal
6.2 What is the compound formula for the hydrate of the cobalt (II) chloride in this analysis? Also write the color
and the crystal structure of the hydrate compound.
6.3 What is the compound formula for the hydrate of the nickel(II) chloride? Also write the color and the crystal
6.4 What is the compound formula for the hydrate of chromium(III) chloride? Also write the color and the
crystal structure of the hydrate compound.
7.1 What are the four steps to identify the compound formula of a metal anion hydrate?
7.2 How does this analysis and program compare to the calculation for Lab 4?
8.0 References
1. Slowinski, etal , Chemstry in the Lab
2. Merck Index

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