Chemical Thinking Kinetics Technical Communication v2.

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Kinetics Technical Communication

Your name: Claire Albertsen Your partner’s name(s): Abdulrahman Ahmad, Sebastian Lopez-Martinez

Your lab instructor’s name: Alicia Swain

Your email: [email protected] Lab section: 2D

All work must be very neat and organized. If you need to organize your thoughts, please use a separate sheet of paper. Please submit the completed document as a PDF to the Kinetics Technical
Communication D2L DropBox before the lab concludes.

Verbose and/or unrefined responses are not appropriate for a technical communication in which you are attempting to communicate outcomes and build a scientific
argument. Think out what you want to say before writing. Avoid excessive length. Responding with virtually everything that comes to mind is not the way to effectively
communicate outcomes and build sound scientific arguments. You must be selective, succinct, and well organized – quality, not quantity.

Description of the
Core Problem or This study characterizes the room temperature NaOH-mediated degradation of Phenolax and Pyoctanin by determining the
Question being reaction order, rate constant and shelf-life under various reactant concentrations, and then given the results, recommends the
solved or best conditions to prolong the shelf life of Phenolax and Pyoctanin at room temperature in an alkaline solution.
investigated
Introduction

The relevance of this kinetics project and experiment is to be able to apply the discovered reaction order and rate constant
of the NaOH-mediated degradation kinetics of Phenolax’s and Pyoctanin’s drug concentration and alkalinity characteristics
Statement of to then infer the shelf life of each drug. The best conditions to prolong the shelf life of Phenolax and Pyoctanin will favor the
Relevance potency, long-lasting effectiveness, and quality of each drug.
(why this study

has importance)


Chemical Thinking Kinetics Technical Communication v2.0 | 2

Major Outcomes
Central Claim that Answers the Supporting Evidence
Reasoning that Connects Evidence to the Claim
Core Problem or Question (Results)

Characterization of PHENOLAX: (What were the key results/observations from your semi-quantitative (What did the semi-quantitative results/observations indicate?)
exploration?)
n: 1
In the first lab session, the semi-quantitative results and
kobs: -0.0117
observations indicated that all of the solutions contained a
t90: 9.005 mixture of Phenolax or Pyoctanin and pure NaOH solution
resulted in a less consistent and prolonged
Characterization of concentration/absorbance as a function of time (in
PYOCTANIN: seconds). Whereas all of the solutions containing a mixture
n: 1 of Phenolax or Pyoctanin, pure NaOH solution, and
kobs: -0.0047 NANOPure water resulted in a more prolonged
Result and Discussion

t90: 22.417 concentration as a function of time (in seconds), which

indicates that the inclusion of NANOPure water in the
solution will extend the concentration level of the solution
as time increases. Solutions with an initial absorbance that
is over 2 indicates that the solution is too dark, meaning
that the spectrometer is unable to measure the absorbance
of light/color of that certain solution. Moreover, we are
looking for solutions that have an initial absorbance of 1.5
The best condition(s) to extend or lower because these solutions will provide more
the shelf life of Phenolax at promising results and data for absorbance measures, which
room temperature in an is determined in the last column.
alkaline solution would be:
The best conditions to extend (Incorporating on your semi-quantitative results/observations, (What was the justification for each step of Proposal 1?)
what plan did you propose to determine n, kobs and t90 (Proposal
the shelf life of Phenolax would
1)?) 1. Experimenting and observing the absorbance of
allude to a mixture containing
1. Begin by combining different ratios of pure NaOH different ratio mixtures of NaOH with Phenolax or
25 microliters of Phenolax and solution with varying amounts of Phenolax solution, and Pycotanin is important in deciding which ratio will
3 mL of pure NaOH solution. varying amounts of NaOH solution with varying amounts be used for the latter part of the Kinetics Project
of Pycotanin. Using the table of ratios above and the (explained below).
spectrometer, measure each mixed solution at room 2. The absorbance vs. time graph analysis on
temperature at 300 seconds and on a time vs. absorbance LoggerPro with the spectrometer will produce the
Chemical Thinking Kinetics Technical Communication v2.0 | 3

graph in LoggerPro. rate of reaction for the chemical mixture, given

2. First measure the absorbances of the NaOH and that absorbance is directly proportional to
Phenolax solutions at a wavelength of 550 nm as a concentration.
The best condition(s) to extend measure of time with the spectrometer (rate of reaction). 3. From the experiments in Proposal 1, we observed
the shelf life of Pyoctanin at Once these values of absorbance and time are recorded, that Phenolax is a much more intense solution
room temperature in an we do the same measurements with the spectrometer for than Pycotanin, so when combined with NaOH,
the NaOH and Pycotanin solution at a wavelength of 590 Phenolax has a much greater effect on
alkaline solution would be:
nm. absorbance than Pycotanin. The usage of
The best conditions to extend 3. Various measures of NaOH, NANOPure water, and NANOPure water as a dilute only extended the
the shelf life of Pyoctanin Phenolax solutions were also combined, and the lasting time of the initial mixture’s absorbance
would allude to a mixture absorbance was measured with the spectrometer in levels. As time increased, the absorbance of each
relation to time (in seconds). solution drastically decreased and never passed
containing 25 microliters of 4. From the observations and experiments conducted in below 0.
Pycotanin, 1.5 mL of pure Proposal 1, we then choose one ratio solution mixture 4. From Proposal 1’s experiments, we chose the
NaOH solution, and 1.5 mL of from each drug, Pycotanin and Phenolax, that produces mixture with 25 microliters of Phenolax and 3 mL
the best (most readable) absorbance values in relation to of NaOH for the Phenolax mixture, because the
NANOPure water.
time (in seconds). absorbance of the solution (or concentration) was
5. Once we have the absorbance vs. time graphs on a scale not too high (<1.5) and not too low (>1): 1.367.
between 0 and 30 seconds, we then use Beer’s Law to The correspondence to time on this ratio’s graph
convert the absorbance vs. time graph into a molar was also consistently decreasing at a promising
concentration [X] vs. time graph. rate (good for data collection).
6. Using the molar concentration [X] vs. time graph, we can 5. Using Beer’s Law, we plug in the absorbance
then determine the values of the rate order (n) and the values measured at every 5 second interval (0-30
observed rate constant (kobs). seconds). In this case, the molar absorptivity of
7. Using Excel, create a table with the concentration values Phenolax would be 5.02 x 10^4 cm^-1M^-1, and
at a 5 second interval. Then, from these concentrations, the value of b would equal 1 cm.
calculate the ln[X] values for each [X] value, as well as the 6. Once these values for molar concentration [X] are
1/[X] values for each [X] value. found, plot them into a graph for [X] vs. time in
8. Create 3 line graphs for [X] vs. time, ln[X] vs. time, and Excel. The rate order, which is the slowest
1/[X] vs. time. Insert the trend line and R-squared value (representative) reaction, and the overall
into each graph and analyze which graph has the highest reaction, is found by analyzing the [X] vs. time,
R-squared value. The line that is most linear will ln[X] vs. time, and 1/[X] vs. time graphs.
represent the rate order (n), which is 0, 1, or 2. The slope 7. Whichever of these graphs has the highest R-
of the representative line will be the observed rate squared value (most linear) will be the
constant value. Do this same entire process in Excel for determinant of the rate order; [X] vs. time is n=0,
the absorbance and concentrations of Pycotanin. ln[X] vs. time is n=1, and 1/[X] vs. time is n=2.
9. To find the shelf life of each drug (Phenolax and 8. From the chosen graph for rate order, we can
Pycotanin), we use the equation: [X]t90=0.9[X]. then look at the slope of that graph and the slope
Furthermore, we only plug in the molar concentration [X] will be the observed rate constant (kobs).
for each drug to find its shelf life. 9. The shelf life of each drug is to be determined
when given the molar concentrations of each
drug, in which we analyze each drug at t_90.
Chemical Thinking Kinetics Technical Communication v2.0 | 4

Moreover, the time at which the drug product

retains 90% of its original potency or when 10% of
the drug has decomposed. This suggests that
since we know the rate order (n) of the
degradation reaction, we then take the integrated
rate law that corresponds to that rate order (from
the 3 graphs) and substitute in [X]t90=0.9[X]when
t=t_90 to solve for t_90. This will give us an
equation for shelf life (t_90) in terms of the
observed rate constant (kobs).

(What were the key results/observations when you implemented (What did the results/observations indicate?)
Proposal 1? How were n, kobs and t90 determined?)
1. It is important to measure and experiment with
various ratios of each solution so that we can
1. In Proposal 1, or the first lab session, we tested a variety select the best trial that best represents the
of different ratio mixtures with one being a varying kinetic behavior (rate of reaction or degradation)
combination of NaOH solution and Phenolax solution, of Phenolax or Pyoctanin. Although in this
while the other had been various combinations of NaOH procedure, we will only be looking at the NaOH-
and Pyoctanin. When testing each drug solution’s mediated degradation of Phenolax.
degradation, we found that the Phenolax solution is much 2. As seen in Proposal 1, several runs represented
more concentrated and intense, thus we used much the consistent decrease in absorbance measured
smaller amounts of this solution in the NaOH solution. by the spectrometer in the A vs. time graph on
Whereas, the Pyoctanin solution had not been as LoggerPro. The initial absorbance value that we
concentrated, and we were able to use larger amounts of are aiming for is between 1 and 1.5, so then we
this drug solution. can obtain a more variable degradation of color
2. After testing and experimenting with 10 different ratio intensity and concentration as a function of time.
mixtures of NaOH and Phenolax in the first session, we 3. These reactions indicate that NaOH-mediated
discovered that when the NaOH solution amount was Phenolax has a quick degradation or declining
kept consistent and the Phenolax solution amount reaction rate, in relation to time (in seconds).
decreased, the initial absorbance of the ratio mixture 4. We chose this specific ratio to conduct the rest of
decreased as a function of time. the Kinetics Project experiments and calculations
3. Amongst the different ratio solutions, we noticed that the because this ratio provided the best overall
initial color for each mixture of NaOH and Phenolax had representation of the kinetic (degradation)
often been the same (pink), yet as time increased, the behavior of Phenolax. The ratio had an initial
color intensity of the solution had decreased. Within a molar absorbance between 1 and 1.5 (1.367), and
matter of a few minutes the solution had become clear the observed color intensity of this ratio solution
again. We also noticed that when a large amount of had decreased at a measurable and appropriate
NANOPure water was added to the solution, the mixture rate, which is good for data collection.
had stayed a consistent (initial) pink color throughout the 5. Calculating the concentration from the equation C
duration of the lab session. = A/ εb will give us the molar concentration
4. After conducting all of the observed trials, we decided on values of [X] in relation to time, from which we
Chemical Thinking Kinetics Technical Communication v2.0 | 5

the ratio that includes 25 microliters of Phenolax and 3 discover the rate order for 1/[X] and ln[x] to then
mL of NaOH pure solution. plot a graph for each format to see which of the
5. After looking at the plots from logger pro we then went graphs is the most linear.
onto transferring it to excel so we could look at specific 6. Sketching the graph for each rate order will allow
data points in regard to absorbances vs time. We then us to see which graph is the most linear, in which
added a separate column and plugged in our equation C = we also analyze the R-squared and the slope
A/ εb into excel to get the molar concentration as a values. The slope of the chosen graph will be our
function of time. observed rate constant variable.
6. Using the same format as we did to get the molar 7. With our n value being 1, this indicates that the
concentration [X] vs. time graph on excel, we added 2 first order of reaction rate (or the degradation of
additional columns and calculated the ln [X] vs. time and Phenolax) had been represented by the ln[X] vs.
1/[X] vs. time graphs as well in accordance with the time graph. Our slope, or observed constant rate
calculated concentrations. value, is also an indicator of the overall rate of
7. From the chosen graph, or the graph that has the most this first [order] reaction, which makes sense
linear trend line to the data, we can determine the values because the degradation of Phenolax has a
of n and 𝑘obs. We chose the ln[X] vs. time graph, which negative slope.
is the first rate order (n=1), because the line for this 8. This value of t90 is representative of the time at
graph was the most linear. The slope from this which the drug product retains 90% of its original
equation is -0.0117, meaning this is also our observed potency or when 10% of the drug has
constant rate value. decomposed. This will then give us an equation to
8. In the final portion, we found the value of t90 when determine shelf life (t90) in terms of the observed
[𝑋]𝑡90 = 0. 9[𝑋]. Moreover, we used the correct rate constant(𝑘𝑜𝑏𝑠).
integrated rate law equation that corresponds to the ln[X]
vs. time graph, which is ln[X]t = -kt + ln[X]0 . Then we
substitute [X]t for 0.9[X]0 , and plug in the previously
discussed n and 𝑘obs values to approach the value of t
when t=t90 . From this, we got t90 = 9.005.
(Based on your Proposal 1 results/observations what subsequent (What was the justification for the modifications of
plan did you propose (Proposal 2)?) Proposal 1 to give Proposal 2?)

1. Begin by combining different ratios of pure NaOH 1. Similar to the procedure from Proposal 1, we
solution with various amounts of Pyoctanin solution. must first experiment with various ratios and
Determine a ratio mixture of both solutions that best amounts of each solution to then see which ratio
represents the kinetic (degradation) behavior of the is the most desirable. The ratio that best
NaOH-mediated Pyoctanin ([NaOH] >> [Pyoctanin]) represents the degradation of Pycotanin will have
solution. Using the spectrometer, measure each of the a decrease in color intensity and absorptivity as a
various mixed solutions at room temperature at 300 function of time, as well as an initial absorbance
seconds and on a time vs. absorbance graph in value below 1.5 (preferably between 1 and 1.5).
LoggerPro. 2. The absorbance vs. time graph analysis on
2. First measure the absorbances of the NaOH and LoggerPro with the spectrometer will produce the
Pyoctanin solutions at a wavelength of 590 nm as a rate of reaction for the chemical mixture, given
measure of time with the spectrometer (rate of that absorbance is directly proportional to
Chemical Thinking Kinetics Technical Communication v2.0 | 6

reaction). concentration.
3. After several trials and observations, one ratio solution 3. As time increased, the absorbance of each
mixture of NaOH and Pycotanin, is chosen that solution should decrease and never pass below
produces the best (most readable) absorbance values 0. It is important to choose a ratio that has an
in relation to time in seconds (discussed above). obvious and variable change in color intensity
4. Once we have the absorbance vs. time graphs on a and absorbance as a function of time, being that
scale between 0 and 30 seconds, we then use Beer’s it is better to have largely various data points
Law to convert the absorbance vs. time graph into a for data collection.
molar concentration [X] vs. time graph. 4. Using Beer’s Law, we plug in the absorbance
5. Using the molar concentration [X] vs. time graph, we values measured at every 5 second interval (0-
can then determine the values of the rate order (n) and 30 seconds). In this case, the molar absorptivity
the observed rate constant (𝑘obs). of Pycotanin would be 8.65 x 10^4 cm^-1M^-1,
6. Using Excel, create a [X] vs. time table with the and the value of b would equal 1 cm.
concentration values from 0 to 300 seconds. 5. Once these values for molar concentration [X]
7. Create 3 tables and line graphs for [X] vs. time, ln[X] vs. are found, plot them into a graph for [X] vs.
time, and 1/[X] vs. time. Insert the trend line and R- time in Excel. The rate order, which is the
squared value into each graph and analyze which slowest (representative) reaction, and the
graph has the highest R-squared value. The line that is overall reaction, is found by analyzing the [X]
most linear will represent the rate order (n), which is vs. time, ln[X] vs. time, and 1/[X] vs. time
0, 1, or 2. The slope of the representative line will be graphs.
the observed rate constant value. 6. Whichever of these graphs has the highest
8. To find the shelf life of the drug Pycotanin, we use the R-squared value (most linear) will be the
equation: [𝑋]t90 = 0.9[𝑋]. Furthermore, we only plug in determinant of the rate order; [X] vs. time is
the molar concentration [X]t90 of Pycotanin into the n=0, ln[X] vs. time is n=1, and 1/[X] vs. time is
determined interated rate law to find its shelf life. n=2. From the chosen graph for rate order, we
can then look at the slope of that graph and the
slope will be the observed rate constant (𝑘obs).
7. The shelf life of the Pycotanin drug is to be
determined once the molar concentration of
Pycotanin is calculated, in which we analyze
this drug at t90. Moreover, the time at which the
drug product retains 90% of its original
potency or when 10% of the drug has
decomposed. This suggests that since we know
the rate order (n) of the degradation reaction
and the observed rate constant (kobs), we then
use the integrated rate law that corresponds to
that rate order (from the 3 graphs) and
substitute in [X]t for [𝑋]t90, which is also
equivalent to 0.9[𝑋], in which we solve for t90.
8. This will give us an equation (integrated rate
law) for shelf life (t90) in terms of the observed
rate constant(kobs).
Chemical Thinking Kinetics Technical Communication v2.0 | 7

(What were the key results/observations when you implemented Proposal 2?)
Rate order: n=0

Rate order: n=1

Rate order: n=2

Chemical Thinking Kinetics Technical Communication v2.0 | 8

By analyzing the 3 graphs above, we can determine the rate order (n), which is displayed by the graph with the most linear trend
line, or the graph with the highest R-squared value. As seen above, although the 1/[X] vs. time graph for the NaOH-mediated
Phenolax solution provided the highest R-squared value (.9733), the ln[X] vs. time graph displays the best linear trend line for the
data. Thus, we will use the ln[X] vs. time graph to determine the rate order, which is n=1. From the chosen graph, the slope of that
trend line will be the observed rate constant, which is -0.0117.
Chemical Thinking Kinetics Technical Communication v2.0 | 9

Extra calculations and graphs pertaining to Pyoctanin (not in Proposal 2):

Rate order: n=0

Rate order: n=1

Chemical Thinking Kinetics Technical Communication v2.0 | 10

Rate order: n=2

By analyzing these 3 graphs above relating to Pyoctanin, we can determine the rate order (n), which is displayed by the graph with
the most linear trend line, or the graph with the highest R-squared value. As seen above, although the 1/[X] vs. time graph for the
NaOH-mediated Pyoctanin solution provided the highest R-squared value (.9638), the ln[X] vs. time graph displays the best linear
trend line for the data. Thus, we will use the ln[X] vs. time graph to determine the rate order, which is n=1. From the chosen graph,
the slope of that trend line will be the observed rate constant, which is -0.0047.
Chemical Thinking Kinetics Technical Communication v2.0 | 11

7/26/2021 IMG_2243.jpg

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(Analyzing the collected data and observations, what are the similarities and (What is the reasoning to justify these claims?)
differences between the NaOH-mediated degradation of Phenolax and
Pyoctanin?) Similarities:
1. The justification for the similarity between rate
Similarities: orders and the observed rate constants can be found
1. Both the Pyoctanin and Phenolax resulted in the first rate in the 6 graphs above, when comparing Phenolax’s
order (n=1), which then eluded to the use of the ln[X] vs. time and Pyoctanin’s ln[X] vs. time graphs.
and ln[X] integrated rate law equation. 2. The comparison of initial absorbances for each drug
2. Both drugs had a negative slope, or a negative observed rate solution is clarified in the Proposal 1 procedures and
constant value, which should be true for any rate of justifications, as well as the volume of each solution
degradation. in the overall mixtures.
3. Both drugs had an initial absorbance that had been below 1.5, Differences:
which was the desirable outcome anyhow. 1. The differences in observed rate constant values can
4. Both solutions or mixtures contained a total of only 25 be justified and observed in the graphs above.
2. These reactions indicate that solutions used with
microliters of Phenolax or Pyoctanin.
NANOPure water maintain their color or vibrancy
Differences: longer than those without NANOPure water.
1. Phenolax had a smaller observed rate constant value (-0.017), Moreover, this means that the absorbance or
Chemical Thinking Kinetics Technical Communication v2.0 | 12

whereas Pyoctanin had a subtly larger observed rate constant concentration of a solution will last longer when
value (-0.0047). there is NANOPure water in the solution.
2. The Phenolax solution or mixture contained only volumes of 3. The linearity of the ln[X] vs. time graphs can be
the Phenolax drug and pure NaOH solution, thus the color and observed and justified above, and the differences in
intensity of the solution dissipated within 5 minutes or less. the shelf life values can be observed and justified by
the calculations for each drug above.
The color of the solution went from pink to clear in relation to
time. Whereas the Pyctanin mixture contained volumes of
Pyoctanin, pure NaOH, and NANOPure water, thus the color of
the solution remained pink throughout the duration of the lab.
The degradation of the intensity of the pink color increases as
the amount of NANOPure water decreases.
3. The linearity of the ln[X] vs. time graph for the Phenolax
solution was a bit more accurate and higher than that of the
Pyoctanin solution.
4. The greatest, and most significant, difference between
Phenolax and Pyoctanin is the calculated shelf life of each
mixed solution. Phenolax’s shelf life when t=t90 was only
9.005 seconds, whereas Pyoctanin’s shelf life when t=t90 was
22.417 seconds.

(What is the reasoning to justify your claim for the best condition(s) to extend the shelf life of Phenolax?)
A mixture containing 25 microliters of Phenolax and 3 mL of pure NaOH solution would be the best condition to extend the shelf life of Phenolax
because the initial and overall absorbance of this Phenolax solution provided good data for analyzing the overall absorbance, then concentration
(and rate order and observed rate constant) of this solution.
*Although we can conclude that the overall use of NANOPure water based on the results from the Pyoctanin experiment, we did not use
NANOPure water in the Phenolax solution, but I would recommend using NANOPure water in Phenolax to extend the shelf life of the drug solution.
*

(What is the reasoning to justify your claim for the best condition(s) to extend the shelf life of Pyoctanin?)
A mixture containing 25 microliters of Pyoctanin, 1.5 mL of pure NaOH solution, and 1.5 mL of NANOPure water would be the best condition to
extend the shelf life of Pyoctanin because the end product resulted in a higher t90 value (22.417 seconds) than the Phenolax (9.005 seconds)
solution (which did not contain any NANOPure water). This implies that the rate at which the drug solution degrades in a NaOH-mediated solution
to 90% effectiveness is more prolonged than a solution without NANOPure water.