Proposal Synthesis Matrix Analysis of Literature

Last Name: Tran First Name: Andrew Period: 4th

Overarching question:​​ ​How can we raise the ignition temperature of a cleaning agent by stabilizing
hydrogen peroxide in high heat environments?

Key Terms (list and define in the space below)

Key Terms:
Chemical Washing Agent: ​A substance that removes stains from materials through oxidation(A. Mattingly, personal communication,
September 12, 2018).

Ignition temperature:​​ This study is concerned with raising the ignition temperature of the chemical chemical washing agent to
increase its chemical stability. The ignition temperature or kindling temperature is the temperature at which a substance spontaneously
combusts (Addai, Gabel, & Krause, 2016).

Chemical stability: ​The chemical stability of a compound is the tendency of it to resist decomposition from internal factors such as
ongoing internal reactions and external factors such as temperature differences and exposure to other chemicals (​Sudur, Pleskowicz, &
Orbey, 2015, p 1933). ​.

Combustion:​​ Combustion is the internal heating of a compound through its internal, exothermic reactions generating heat until it
reaches the point of burning (Klaus, 2015, p.2094)..

Thermal Decomposition: ​Thermal decomposition is the process of chemical decomposition thorough heat (Nakano, Wada, & Koga,
2015, p.9761). The exothermic reaction of thermal decomposition utilizes this heat to break chemical bonds.

Exothermic Reaction: ​An exothermic reaction is a terms used to describe the flow of heat transfer during chemical reactions. If heat
is generated at the end of a chemical reaction, the reaction is said to be exothermic, such as in the case of decomposition of the
Oxidizing Agent (Nakano, Wada, & Koga, 2015, p. 9762).
Oxidizing Agent: ​An oxidizing agent is a substance that causes another substance to lose electrons (Sarkar, Hussein, & Kim, 2017,
p.222).

Oxidizing Agent A, B: ​The oxidizing agent of the chemical washing agent is a commonly used ingredient in household bleach and in
the lab. Under high heat environments, the oxidizing agent thermally decomposes into hydrogen peroxide and then oxygen. This
combination of high heat and oxygen makes the oxidizing agent a dangerous chemical if it decomposes. (A. Mattingly, personal
communication, September 12, 2018). Two of these oxidizing agents from different companies will be tested in a coated and uncoated
form.

Coated: ​The coated form of the oxidizing agent refers to a set of inorganic materials that coat the oxidizing agent to prevent it from
decomposing naturally, slow down rate of reaction of hydrogen peroxide, and prevent clumping of materials during processing to
ensure homogenous quality of product (Xing, Zhuo, Bakalis, Castro, & Zhang, 2017, p.2-3). Thus 4 total oxidizing agents will be
tested: Oxidizing Agent A coated, Oxidizing Agent A uncoated, Oxidizing Agent B coated, and Oxidizing Agent B uncoated.

Hydrogen Peroxide:​​ Thermal decomposition of the oxidizing agent produces hydrogen peroxide. Hydrogen peroxide, H​2​O​2​, contains
a single oxygen-oxygen bond. It is commonly used as an oxidizing agent. It is a generally unstable substance and decomposes
naturally over time into O​2​ and H​2​ gas (Olenin & Olennia, 2017, p.234).

Binding Agent: ​The purpose of the binding agent is to prevent decomposition by allowing the hydrogen peroxide produced to bind to
it, stopping the formation of oxygen through peroxide decomposition. The binding agent is integral since it provides a link for
hydrogen peroxide to attach to. If the hydrogen peroxide can remain intact and attached to another molecule, it will not decompose
into oxygen, reducing the chance of combustion. The following components will be tested: Acid A, Acid B, Monosaccharide A,
Monosaccharide B, and Oxidizing Activator A. These ingredients were chosen due to their reactivity with hydrogen in addition
synthesis reactions ​(A. Mattingly, personal communication, September 12, 2018).
 Synthesis Matrix Analysis of Literature

Foundational Sub Problem 1: ​What is the effect of heat on the ingredients in a cleaning agent?

APA Purpose Framework Sample Design Variables/ Results Controversies, Assumptions, Implications
format instruments disagreements Limitations for practice,
reference Overarching Hypothesis/ How the with other and research,
Question Objective How the Validity hypothesis was authors Delimitations theory
data was and supported/rejected
collected? Reliability You will add a
Conclusion and list of authors
further studies referenced in
this section on
a separate
page

Nakano, This study Based on The Thermogr This study The thermal None In section This
M., evaluated the crystall avimetric evaluated decomposition of 3.2, Nakano example of
Wada, the chemical empirical ine −different the SPC is kinetically et. al, kinetic
T., Koga, scheme of kinetic SPC ial chemical characterized as determines modeling
N. successive model of was thermal scheme of successive the heat flow demonstrate
(2015). reactions in the thermal precipi analysis successive endothermic and of an s the
Exother thermal decomposit tated (TG−DT reactions in exothermic exothermic usefulness
mic decompositi ion of SPC, by A) thermal processes and of applying
behavior on of SPC the kinetic mixing measurem decomposit regulated by a endothermic the kinetic
of from the meaning of a ents for ion of SPC physico-geometric reaction and procedure
thermal differences the time- or saturat both from the al reaction compares to
decompo in the rate temperatur ed samples differences mechanism. The them to each additional
sitions of behaviors e-resolved Na2C (sample in the rate physicogeometric other. They relevant
sodium measured thermal O3 mass m0 behaviors al reaction assume the reactions
percarbo using effects solutio = 5.00 measured mechanism of the heat flow of (Nakano,
nate: thermogravi recorded n and mg; using two overlapping the system is Wada, &
Kinetic metry (TG) using DSC approx weighed thermograv reaction steps, closed and Koga, 2015,
deconvol and measureme imately into a imetry caused by the heat is not p.9762).
ution of differential nts is 15% platinum (TG) and inhabitation effect lost to the
successiv scanning evaluated H2O2 cell of 6 differential of the surface environment
e calorimetry and the solutio mm i.d. scanning product layer of and depleting
endother (DSC) differences n at and 2.5 calorimetry Na2CO3 on the at a
mic and (Nakano, between room mm in (DSC). diffusional consistent
exotherm Wada, & reactions of temper height) Separation removal of the rate (Nakano,
ic Koga, 2015, SPC ature.1 were of gaseous products Wada, &
processe p. 9762). crystalline 3 The performe calorimetri produced by the Koga, 2015,
s. ​The particles precipi d at a c data into internal reaction, p.9764).
Journal and tate heating endothermi has been revealed
of granules was rate of 5 c and by the kinetic
Physical are separat K min−1 exothermic deconvolution
Chemistr illustrate ed and in an effects analysis of the
y A, 119 (Nakano, washed atmosphe attributed mass-loss data
(33), Wada, & with re of N2 to the during thermal
9761-97 Koga, absolut (80 cm3 successive decomposition
69. doi: 2015, e min−1) reactions (Nakano, Wada,
10.1021/ p.9762). ethanol using a of eqs 2 & Koga, 2015,
acs.jpca. and top-loadin and 3, p.9767).
5b07044 dried g respectivel
in a instrumen y, was
vacuu t attempted
m (TGD-50 using an
desicca M, empirical
tor. Shimadzu kinetic
The Co.). deconvolut
granula DSC was ion
r SPC used for procedure
was recording (Nakano,
purcha the Wada, &
sed as kinetic Koga,
comme rate data 2015,
rcially of the p.9762).
availab thermal
le decompos
domest ition.
ic Each
oxygen sample of
bleach 5.00 ±
(Nippo 0.05 mg
n was
Garlic weighed
Corp.). in an
A aluminum
sieved pan (6
fractio mm in
n of diameter
500−1 and 2.5
000 mm in
μm depth).
was The DSC
sample curves
d were
withou recorded
t any using a
further DSC
puric instrumen
 ation t
or (DSC-60,
crushin Shimadzu
g Co.) in
(Nakan N2
o, owing at
Wada, a rate of
& 50 cm3
Koga, min−1 at
2015, different β
p.9762 (1 ≤ β ≤
). 10 K
min−1)
(Nakano,
Wada, &
Koga,
2015,
p.9763).

Nakano, Nakano, In this A The Changes in The thermal Galwey and The tablets The
M., Wada, and study, the comme compone the crystal stability of SPC is Hood prepared revealed
Wada, Koga (2015) overall rate rcially nts of the structures improved by the proposed a were not kinetic
T., Koga, observe the behavior of availab SPC of the protective action physico-geom exposed to behavior is
N. reaction the thermal le granules samples of the outer etrical normal taken as a
(2015). mechanism decomposit granula were that surface layer, as interpretation atmospheric typical
Multiste of ion of SPC r SPC identied accompani reected by an of the kinetic conditions in model for
p kinetic decomposin granules for using ed the increase in the Ea behavior which water the thermal
behavior g sodium was domest powder thermal value for the under vacuum vapor would decompositi
of the percarbonat investigate ic use X-ray decomposit thermal characterized have altered on of an
thermal e with the d under (Nippo diffractio ion were decomposition by by a the outer internal
decompo outer systematica n n traced approximately sigmoidal surface layer solid
sition of surface later lly Garlic analysis. using the 10% as compared gaseous being protected by
granular of SPC in changing Corp.) The powder with that for the evolution rate experimented an outer
sodium mind reaction was mixture XRD reaction of SPC curve,4,5 that on (Nakano, surface
percarbo (Nakano, conditions, purcha SPC−Na2 analysis on crystalline is, the Wada, & layer in a
nate: Wada, & including sed CO3 a RINT particles (Nakano, Na2CO3 Koga, 2015, core−shell
Hindranc Koga, 2015, programme and compositi 2200 V Wada, & Koga, surface p. 9750). structure
e effect p. 9749 - d changes used on in the system 2015, p. 9758). product layer (Nakano,
of the 9750). in the withou SPC equipped formed in the Wada, &
outer temperatur t granules with a initial stage of Koga, 2015,
surface e and puric was programma the reaction p. 9758).
layer. atmospheri ation determine ble heating regulates the
The c water or d from chamber diffusional
Journal vapor crushin the (PTC-20, removal of
of pressure g mass-loss Rigaku the gases
Physical (Nakano, (Nakan value due Co.). To produced by
Chemistr Wada, & o, to thermal observe the the internal
y A, 119 Koga, Wada, decompos surface reaction.
(33), 2015, p. & ition morphologi However, the
9749-97 9750). Koga, recorded es and reaction rate
60. doi: 2015, using architectur accelerates in
10.1021/ p. thermogra es of the
acs.jpca. 9750). vimetry− partially established
5b07042 differentia decompose stage of the
l thermal d SPC reaction.
analysis. granules, Thus, the
The samples overall rate
TG−DTA were behavior has
measurem decompose been
ent was d to explained by
performe different a contracting
d using extents by geometry-typ
approxim heating in e reaction
ately 5.0 the above with
 mg of TG−DTA acceleration
sample, Instrument of the linear
which s advancement
was (DTG-50M rate of the
weighed ) under reaction
in a conditions interface
platinum identical to toward the
pan (6 those used center of the
mm in for the reactant
diameter TG−DTA particles as
and 2.5 measureme the overall
mm in nt reaction
depth), (Nakano, advances
using a Wada, & (Nakano,
heating Koga, Wada, &
rate β of 5 2015, p. Koga, 2015,
K min−1 9751). p. 9749).
in a ow
of N2 (80
cm3
min−1)
(Nakano,
Wada, &
Koga,
2015, p.
9750).
Galwey, Not all solid The results Sodiu Kinetics … the The solid state None The various This study
A. K., & state obtained in m of salt shapes of decomposition of effects of has been
Hood, decompositi the present percarb decompos all a-time sodium mechanical useful
W. J. ons can be study onate ition were curves for percarbonate is an pretreatment because it
(1979) correctly indicate sample studied in reactions autocatalytic rate must be determined
Thermal assigned to that during s LI, a of the process; the interpreted that the
decompo one or other decomposit L2, conventio several kinetic with care, presence of
sition of of these two ion of and nal preparation characteristics of since water
sodium classes, and sodium L3(Fe) constant s studied the pyrolyses of impurities increased
carbonat the present percarbonat were volume by several different may be the speed of
e report is e under prepare vacuum accumulato preparations were introduced decompositi
perhydra concerned vacuum or d2,3,8 apparatus ry or by closely similar (Galwey & on of
te in the with a in water in the by using gravimetric (Galwey & Hood, Hood, 1979, Sodium
solid reaction vapor the laborat ~8 mg methods 1979, 1815). 1815). Percarbonat
state. ​J. which hydrogen ory by samples under e. It also
Phys. incorporates peroxide the of vacuum or detailed a
Chem., features undergoes additio reactant, in water mechanism
83​(14), characteristi breakdown n of weighed vapor for the
1810−18 c of both within the excess to ±0.1 (Galwey & decompositi
15. types, the crystalline hydrog mg… Hood, on of
doi:10.10 pyrolysis of reactant en Gravimetr 1979, Sodium
21/j1004 sodium (Galwey & peroxi ic 1811). percarbonat
77a003 carbonate Hood, de Apparatus e. (Galwey
perhydrate, 1979, (86% . Reaction & Hood,
Na2C03*1.5 1810). Laport rates were 1979,
H202 e also 1810).
(Galwey & stabiliz studied
Hood, 1979, ed) from
1810) (Galwe changes
y& in the
Hood, extension
1979, of a
1810). helical
glass
spring,
measured
by a
 catharom
eter,
representi
ng mass
loss
during
isotherma
l (±0.5 K)
decompos
ition of
(~40 mg
samples)
reactant
(Galwey
& Hood,
1979,
1811).
While In this We We Using 1) Thermal Given all of Isothermal This issue is
Zonfrilli, sodium paper we used, measured these activity the above, we calorimetry becoming
F., percarbonat examine a as dry heat calorimeter depends believe that results are bigger and
Germana e is a critical dry deterge generatio s, heat on water the runaway sample size bigger in
, S., technology detergent n n from evolution activity. models dependant. view of the
Guida, for model model the was 2) A more previously Thus we compaction
V. detergency, system and system product followed complex mentioned are expect using trend that is
(2009). its chemical we assess , a 30 using 2 up to 5 autocatalyt not correctly this to scale undergoing
Thermal stability is a its thermal % in isotherma days at 30, ic model is predicting the up heat into
stability key decomposit weight l 40 , 50 , needed to runaway generation in detergent
of dry challenge to ion active calorimet and 60 observe conditions of containerof industry
detergent address to behavior to SPC ers, a degrees the dry detergents big size is (Zonfrilli,
formulati formulate critically prototy TAM III, celsius kinetics of (Zonfrilli, not Germana, &
on detergents review the pe, and a (Zonfrilli, SPC Germana, & straightforwa Guida,
containin (Zonfrilli, suitability formua TAM air, Germana, decomposi rd (Zonfrilli,
g sodium Germana, & of the lted equipped & Guida, tion Guida, 2009, Germana, & 2009, p.
percarbo Guida, above cited with respective 2009, p. (Zonfrilli, p. 710). Guida, 2009, 705).
nate. 2009, p. models to tetraac ly with a 705). . Germana, p. 710). .
Chemica 705). predict etyleth 4 ml and & Guida,
l runaway ylenedi a 20 ml 2009, p.
Engineer conditions amine glass 710).
ing (Zonfrilli, (TAED ampoule
Transact Germana, ,a calorimet
ions, 17,​ & Guida, peroxi er
705-710. 2009, p. de (Zonfrilli,
https://do 707). activat Germana,
i.org/10. or) and & Guida,
3139/113 a spray 2009, p.
.100340 dried 705). .
granule
contain
ing,
among
other
ingredi
ents,
zeolite
and
anionic
surfact
ants
(Zonfri
lli,
Germa
na, &
Guida,
2009,
 p.
705). .
Although it It was of Hydro To The rate of However, we can None It seems In view of
is possible interest to gen evaluate decomposit hope to obtain reasonable to the
to obtain determine Peroxi the ion of solutions of at assume that increasing
commercial whether the de relative Hydrogen least 90% small interest of
hydrogen improveme (90%) advantage Peroxide hydrogen proportions manufacture
peroxide nt in purity was s of was peroxide of organic rs and
solutions of of the used redistillati measured concentration, peroxy acids, consumers
90% peroxide (Schu on and using SnO​2 with little or no aldehydes, of hydrogen
hydrogen gained by mb, addition at 50°C added stabilizer, ketones, etc., peroxide in
peroxide redistillatio 1957, of (Schumb, which will show a may be the
content, or n would p.1760 stabilizer, 1957, yearly active carried along nonelectroly
even higher, permit ) measurem p.1760). oxygen loss of in the tic
almost subsequent ents were well below 1% distillation processes of
wholly use of made of (Schumb, 1957, steps of manufacture
devoid of smaller the rate of p.1762). production of , it is
stabilizing proportions the order the organic particularly
substances, of of autoxidation important to
interest in stabilizing 0.001% type and be learn to
stabilizing agent than (Schumb, found in the what extent
procedures may have 1957, final product stabilization
continues, been p.1760) (Schumb, procedures
and the employed 1957, employed
desirability with the p.1762).. with such
of adding hydrogen products
small peroxide require
proportions prior to modificatio
of redistillatio n, as
stabilizers to n (Schumb, protection
very 1957, against
concentrated p.1760) organic
 solutions contaminant
has been s, the
carefully presence of
considered which is to
by be
manufacture anticipated
rs (Schumb, in these
1957, methods
p.1759) (Schumb,
1957,
p.1762)

​ ​ FSP, please use the table below. If not, please DELETE the table below before turning in your document to
If you have a 3​rd​
TURNITIN.COM

Synthesis Matrix Analysis of Literature

Foundational Sub Problem 3: ​How can we control the effects of heat on ingredients of a cleaning agent?

APA Purpose Framework Sample Design Variables/ Results Controversies, Assumptions, Implications
format instruments disagreements Limitations for practice,
reference Overarching Hypothesis/ with other and research,
Question Objective How the Validity How the authors Delimitations theory
data was and hypothesis was
collected? Reliability supported/rejected You will add a
list of authors
referenced in
 Conclusion and this section on
further studies a separate
page
Scheck, Scheck and The aim of The A HPLC This investigation None The Therefore
C.K., Frimmel(20 this work Phenol reaction machine of the degradation experiments the obtained
Frimmel, 15) was to use and system was used to of phenol and were not results can
F.H. investigate phenol and Salicyc consisted obtain salicylic acid by intended to add to the
(1995). how phenol salicylic lic acid of a retention u.v. analyse all understandi
Degradat and salicylic acid as was photoreac times radiation/hydroge intermediate ng of the
ion of acid are typical mixed tor, a (Shceck & n peroxide/ products, e.g. reactivity of
phenol oxidized by building with a supply Frimmel, oxygen highlights hydroxylated natural
and hydrogen blocks of solutio container, 1995, p. only one part of a maleic acid organic
salicylic peroxide. aquatic HS n of a pump 2347). complex reaction and matter in
acid by and to hydrog and tubes system. The aldehydes aquatic
ultraviol investigate en (Fig. 1). results obtained in have been systems
et their peroxi The this work omitted and (Shceck &
radiation advanced de and photoreac correspond well will be the Frimmel,
/hydroge oxidative put tor and with the current subject of 1995, p.
n degradation throug the pump data of the further work 2351).
peroxide/ (Shceck & h the were oxidation of (Shceck &
oxygen. Frimmel, photos made of phenolic Frimmel,
Water 1995, p. ystem stainless substances. The 1995, p.
Research 2347) (Shcec steel. The model compounds 2351).
, 29​(10), k& supply phenol, salicylic
2346-23 Frimm container acid, and vanillic
52. doi: el, and the acid are typical
10.1016/ 1995, tubes building blocks of
0043-13 p. were aquatic humic
54(95)00 2347-2 made of matter (Shceck &
060-X 348) glass and Frimmel, 1995, p.
PTFE 2351).
plastic
material.
For
protection
against
diffuse
daylight,
they were
wrapped
in
aluminiu
m foil.
The
irradiatio
n in the
pbotoreac
tor was
done by a
low-press
ure
mercury
lamp (JR
50;
Katadyn
Co.)
positione
d in the
centre of
the tube
(Shceck
&
Frimmel,
 1995, p.
2347).

Medvede In this In this In this The Sodium A comparison of None Medevedev The
v, A., regard, the work, we work, operating polyphosph SPP, OEDPA, and et al. state approach
Zhubriko search for developed we principle ate (SPP), NTMPA as that proposed in
v, A., new ways to a technique obtaine of a oxyethylid encapsulating impurities this work
Melnik, encapsulate for d laboratory ene agents shows that might have can
E., the stabilizing experi dryer-gra diphosphon OEDPA together affected the probably be
Shabalov granulated SPC, which mental nulator is ic with SPP also graph of the used to
a, I., SPC, which allows a sample as (OEDPA), provides XPS sepctra produce
Mikhailo does not product to s of follows. and stabilization of which other solid
v, A., reduce its be granula Calcined nitrilotrime SPC (half-life indicates the sources of
Khitrov, activity and granulated ted soda thylphosph time of the sample compositions active
N., & ... does not and SPC solution; onic in wet carbon of the oxygen,
Prikhodc increase the encapsulate from a hydrogen (NTMPA) dioxide flow is 28 samples including
henko, P. cost, is an d in one reactio peroxide acids were h), whereas (Medevedev, for
(2017). urgent task technologic n (30 wt used as NTMPA is 2017, p.519) granulation
Develop of modern al stage solutio %); liquid encapsulati ineffective as an and
ment of chemical without n glass ng encapsulating encapsulatio
combine technology reducing its contain solution; compounds agent, i.e., the n of final
d (Medevedev solubility ing 1, and, in (encapsulat half-life time of product
granulati , Melnik, in water 3, 5, the case ing agents) this sample is less powder,
on and Shabalova, (Medevede and 8 of the that were than for such as
encapsul Mikhailov, v, 2017, wt % synthesis introduced nonencapsulated metal
ation Khitrov, p.516) of of an into the SPC (Medevedev, peroxides or
process Prikhodche, SPP; 1 encapsula reaction 2017, p.521) new organic
in 2017, p.516) wt % ted solution peroxosolva
producti of product, (Medevede tes [22,
on of OEDP an v, 2017, 27–32],
sodium A; and encapsula p.516) spraying a
percarbo 1 wt % ting agent solution
nate. of solution over them
Theoreti NTMP are mixed that
cal A, as in the contains
Foundati well as reactor. encapsulatin
ons Of SPC The g and
Chemica contain solution granulating
l ing no obtained agents
Engineer encaps in the (Medevedev
ing, ulating reactor is , 2017,
51​(4), agent continuou p.521)
515. (Mede sly fed
doi:10.11 vedev, into a
34/S004 2017, screw
0579517 p.516) mixer,
04011X where it
is sprayed
over a dry
retour.
The
wetted
retour is
sent to a
fluidized
bed dryer
(Medeved
ev, 2017,
p.516)

Oh, H.S., Oh, Kim, In this Hydro Spectrosc The It can be None The The current
Kim, J.J., and Kim study, the gen opy was individual concluded that experiment study shows
& Kim, (2015) look stability of peroxi used to absorption stabilization is was that an
Y.H. to stabilize hydrogen de determine spectra of achieved by performed in appropriate
(2015) hydrogen peroxide (Junsei the pKa tartaric inhibiting the an stabilization
Stabilizat peroxide was , 30%), of the acid, catalytic effect of environment of H2O2
ion of decompositi evaluated nitrobe iron-tartar ferrous soluble iron by an meant to with
hydrogen on in the in the nzene ic acid sulfate, and interaction replicate soil organic acid
peroxide presence of presence of (Sigma solution ferric between iron and and water improves
using tartaric acid an organic -Aldric (Oh, Kim, chloride stabilizer (Oh, environments the
tartaric (Oh, Kim, acid, h), Kim, were Kim, Kim, 2015, but it was not oxidative
acids in Kim, 2015, tartaric hydroc 2015, p. obtained, p. 892). a true degradation
Fenton p. 886). acid. The hloric 886). and the representativ performanc
and interaction acid absorption e of real life e and
fenton-li between (Merck spectra of scenarios provides an
ke tartaric acid , 37%), the mixture (Oh, Kim, alternative
oxidation and ferrous hexane of tartaric Kim, 2015, cost
. ​Korean or ferric (J.T. acid and p. 891). effective
Journal iron was Barker, ferrous technology
of monitored HPLC iron or the (Oh, Kim,
Chemica at varied grade), mixture of Kim, 2015,
l solution pH and tartaric p. 892).
Engineer (Oh, Kim, tartaric acid and
ing, Kim, 2015, acid ferric iron
33​(3), p. 886). (SAM were also
855-892. CHUN obtained in
doi: ) were UV-Vis
10.1007/ used range.
s11814-0 for the Spectra
15-0204- Fenton data were
x reactio collected at
ns. a variation
Ferrou of solution
s pH
sulfate between
(heptah pKa1 and
 ydrate) pKa2 (Oh,
and Kim, Kim,
ferric 2015, p.
chlorid 886).
e
(hexah
ydrate)
were
obtaine
d from
Duksa
n
Chemi
cal
(Korea
) (Oh,
Kim,
Kim,
2015,
p.
886).
Alikhani, Alikhani & In the Alikha The All the Finally, the Some To construct In the
M.E. & Barone try present ni & characteri computatio bonding in the optimized a proposed present
Barone, to find the study, we Barone stics of ns have H2O2–HO2 internal model of the Letter, we
V. structure of have use the been radical is very coordinates of six member have
(2004). the reexamined hydrog intermole performed similar to that in three studied and five presented a
Hydroge molecule the H2O2– en cular by the the closed-shell structures are member quantum
n-bondin formed by HO2 peroxi H-bonds GAUSSIA H-bonded gathered in rings, mechanical
g hydrogen complex to de and stabilizin N 03 systems. The Fig 1. Our Alikhani and study of the
between peroxide show that: a g the package interaction calculated Barone H2O2–HO2
the and a hydrop complex [9] using between the H2O2 internal (2004)
hydrogen hydroperoxy 1. The very eroxy have been different and HO2 coordinates assumed complex at
peroxide radical low radical analyzed computatio fragments is for the conditions of the MP2
molecule (2004). activation (2004). using the nal governed by both equilibrium 0 K. and
and the energy natural models. hyperconjugative five- and CCSD(T)
hydroper governing bond and six-membered levels of
oxy interconver orbital rehybridization structures are theory using
radical sion (NBO) contributions very close to the
(H2O2– between method leading to a small those reported 6-311++G(
HO2): five- and [20] charge transfer in [8]. 2d,2p)
The six-membe (available and However basis set
global red in the an electronic vibrational (Alikhani &
minimu structures NBO 5.0 reorganization averaging Barone,
m explains package within each effects lead to 2004, 137).
why only [21]) and partner, non
the most the respectively negligible
stable B3LYP/ (Alikhani & modifications,
six-membe 6-311++ Barone, 2004, especially for
red form G(2d,2p) 137). intermolecula
has been effective r
characteriz one-electr parameters
ed on matrix (Alikhani &
experiment (Alikhani Barone, 2004,
ally. & 135).
2. Barone,
Anharmoni 2004,
c 134)..
contributio
ns cannot
be
neglected
for a
quantitative
comparison
between
the
computed
and
experiment
al
frequency
shifts
issuing
from
H-bond
interactions
.
3. The
electronic
contributio
ns to
H-bond
stability are
similar in
this
open-shell
complex
and in
more
convention
al
systems
(Alikhani
 & Barone,
2004, 134).

Sudur, The use of In the Sample The Sudur, Entrapping H2O2 Higher Gelation Better
F., sol−gel present s were H2O2 Pleskowi, in a silica retention and occurs faster stability in
Pleskowi processing work, the obtaine content of and Orbey hydrogel better stability at higher the
cz, B., & for silica gel d by the (2015) increased the of H2O2 were temperatures, hydrogel
Orbey, xerogels has formation drying hydrogels observed H2O2 stability… achieved with but the matrix
N. a high stage sol−gel was sodium H2O2 stability hydrogels at decompositio would
(2015). potential of before at 70 measured content, was enhanced due room n of H2O2 is enhance the
Hydroge increasing xerogel °C by pH, H​2​O​2 to the formation temperature also use of
n the stability synthesis until KMnO4 concentrati of strong compared to increased. To H2O2 in
peroxide or and the 90% of titration on and its hydrogen bonds those reported balance the current
stability controlling factors the immediat effects on with the silica gel in the decompositio applications
in silica the affecting total ely after peroxide surface. (Sudur, literature n rate and gel . For
hydrogel decompositi gelation for mass gelation stability Pleskowi, & (Sudur, time, 40 °C example,
s. on rate of H2O2−silic was and (Sudur, Orbey, 2015, p. Pleskowi, & was selected H2O2
H2O2 by a hydrogels lost. remeasure Pleskowi, 1932-1938). Orbey, 2015, as the containing
forming are studied The d daily to & Orbey, p. 1939). experimental hydrogels in
strong (Sudur, stabilit assess 2015, p. temperature municipal
hydrogen Pleskowi, y of H2O2 1932-1936) (Sudur, water
bonds with & Orbey, 3.8 wt retention . Pleskowi, & treatment
the silica gel 2015, p. % in the Orbey, 2015, would
surface 1931) H2O2 hydrogel. p. 1931). provide
(Sudur, in Three longer
Pleskowi, & xerogel repeated periods of
Orbey, was71 titrations disinfection
2015, p. %after were using lower
1930) 63days performe concentratio
ofstora d for each ns of H2O2.
geatroo gel It would
mtemp sample also enable
 erature (Sudur, new
and as Pleskowi, applications
high as & Orbey, that are
94% 2015, p. currently
after 1931). not practical
storage due to the
at 3 °C instability
(Sudur, of H2O2
Plesko such as
wi, & injectable
Orbey, hydrogels
2015, for wound
p. healing
1931). (Sudur,
Pleskowi, &
Orbey,
2015, p.
1932).

References (Both from FSP 1, FSP 2, FSP 3 etc.; and references from the controversies, disagreements with other authors’
column)
*Note: Always in APA format on a separate page.

References

Addai, E.K., Gabel, F., & Ulrich, K. (2016) Models to estimate the minimum ignition temperature of dusts and hybrid mixtures.
 Journal of Hazardous Materials, 304(​ 1), 73-83. ​https://doi.org/10.1016/j.jhazmat.2015.10.015

Alikhani, M.E. & Barone, V. (2004). Hydrogen-bonding between the hydrogen peroxide molecule and the hydroperoxy radical

(H2O2–HO2): The global minimum. ​Chemical Physics Letters, 31(​ 1), 134-​137. doi:

https://doi.org/10.1016/j.cplett.2004.05.00​5

Galwey, A. K., & Hood, W. J. (1979) Thermal decomposition of sodium carbonate perhydrate in the solid state. ​J. Phys. Chem​.,

83​(14), 1810−1815. doi:10.1021/j100477a003

Klaus, S.R. (2015). Why combustions are always exothermic, yielding about 418 kJ per mole of O​2​. ​Journal of Chemical Education,

92​(12), 2094-2095. doi:10.1021/acs.jchemed.5b00333

Medvedev, A., Zhubrikov, A., Melnik, E., Shabalova, I., Mikhailov, A., Khitrov, N., & ... Prikhodchenko, P. (2017). Development of

combined granulation and encapsulation process in production of sodium percarbonate. ​Theoretical Foundations Of Chemical

Engineering, 51(​ 4), 515. doi:10.1134/S004057951704011X

Nakano, M., Wada, T., & Koga, N. (2015). Exothermic behavior of thermal decompositions of sodium percarbonate: Kinetic

deconvolution of successive endothermic and exothermic processes. ​The​ ​Journal of Physical Chemistry A, 119 (​ 33),

9761-9769. doi:10.1021/acs.jpca.5b07044
Nakano, M., Wada, T., & Koga, N. (2015). Multistep kinetic behavior of the thermal decomposition of granular sodium percarbonate:

Hindrance effect of the outer surface layer. ​The​ ​Journal of Physical Chemistry A, 119 (​ 33), 9749-9760. doi:

10.1021/acs.jpca.5b07042

Oh, H.S., Kim, J.J., & Kim, Y.H. (2015) Stabilization of hydrogen peroxide using tartaric acids in Fenton and fenton-like oxidation.

Korean Journal of Chemical Engineering, 33​(3), 855-892. doi: 10.1007/s11814-015-0204-x

Olenin, A., & Olenina, E. (2017). Spectrophotometric nonenzymatic determination of hydrogen peroxide using silver nanoparticles.

Journal Of Analytical Chemistry, 72(​ 2), 234-238. doi:10.1134/S1061934817020095

Sarkar, S., Hussein, A., & Kim, B. (2017). Effects of Changing the Amount of Oxidizing Agents on the Structural Properties of

Graphene Oxide and its Dispersion Stability in an Aqueous Medium. ​Chemical Engineering Communications, 204​(2),

221-231. doi:10.1080/00986445.2016.1260009

Scheck, C.K., & Frimmel, F.H. (1995). Degradation of phenol and salicylic acid by ultraviolet radiation/hydrogen peroxide/oxygen.

Water Research, 29​(10), 2346-2352. doi: 10.1016/0043-1354(95)00060-X

Schumb. W.C. (1957). Stabilization of the concentrated solutions of hydrogen peroxide. ​Industrial & Engineering Chemistry, 49 (​ 10),

1759-1762. doi: 10.1021/ie50574a044

Sudur, F., Pleskowicz, B., & Orbey, N. (2015). Hydrogen peroxide stability in silica hydrogels. ​Industrial Engineering and Chemical

Research, 54(​ 6), 1930-1940. doi:10.1021/ie504850n

Xing, L., Zhou, B., Bakalis, S., & Castro, J. (2017). Coating of sodium percarbonate particles using water soluble materials in a

fluidised bed to achieve delayed release in aqueous environment. ​Cogent Engineering,​ ​4(​ 1), 1-18.

https://doi.org/10.1080/23311916.2017.1372730

Zonfrilli, F., Germana, S., & Guida, V. (2009). Thermal stability of dry detergent formulation containing sodium percarbonate.

Chemical Engineering Transactions, 17,​ 705-710. https://doi.org/10.3139/113.100340