CHAPTER 2

REVIEW OF RELATED LITERATURE

2.1. Economics of and Outlook on PUs and RPUFs

According to a recent market report [1], in 2021, the global PU market size was

estimated to be more than Php 3.6 trillion (see Figure 2.1) and is expected to expand at a

compound annual growth rate (CAGR) of 4.3% from 2022 to 2030. In terms of PU

product, rigid PU foams used in a variety of sectors such as automotives, appliances,

packaging and industrial insulations accounted for more than a 30.0% of the global

revenue in 2021. Owing to their structural and thermal stability, RPUFs are a prime

choice in manufacturing thermally insulating products. They also possess sound

insulation properties which rendered them more popularity. Flexible PU foams used for

cushioning in a variety of consumer and commercial products such as furniture, bedding,

carpet cushion, fibers, and textiles, so far, is of timeless demand. Moreover, in light of

sustainability concerns worldwide, whereby there is increasing investments in smart,

energy-efficient commercial and residential buildings or “Green Buildings” across all

sectors, the demand for efficient insulating materials to regulate heating, ventilation and

air conditioning (HVAC) and to optimize energy savings consequentially increased,

whereby PU foams come as a prime choice. Aside from the construction industry, there is

also rising demand of PU foams from the automotive and packaging sectors worldwide.

In the same report, Asian countries with emerging economies, due to their growing

urbanization and industrialization, and regions experiencing extremities such the Middle

1
East, North & South America and Europe, with their rising infrastructure development

activities, more especially fuels the demand for PU foams and insulation. The

Philippines, itself, is home to expanding industries such as the construction, automotive,

electronics, manufacturing, furniture and packaging industries that that provide

opportunities for the PU industry. Moreover, with the PU foam market concurrent with

the growth of the construction sector, this demand is expected to grow in the Philippines

over its massive infrastructural projects by virtue of its continuing “Build, build, build”

program, its large and growing population needing the material for residential and

commercial use, and its national thrust for industry, innovation and especially

sustainability the country’s international commitment to the global Sustainable

Development Goals (SDGs) reflected in the latest Philippine Development Plan (PDP)

[2-4]. Moreover, with international thrust towards sustainability—constructing “green

buildings” and building smart cities with government support to meet transitioning

standards, many countries across the globe have changed landscape and resulted in

increased investments in PU products. For example, stringent regulatory framework in

Europe have shifted increased PU demand, especially of RPUF. Lastly, PU products are

expected to gain more significance and market size on the account of rising consumer

awareness regarding their sustainable PU alternatives across many applications. [1]

2.2. PU Chemistry and RPUF Production

PU is a polymer consisting of organic units of isocyanates (typically, diisocyanate;

functional group: –N=C=O) and polyols (functional group: –OH) origins joined by

2
carbamate or urethane linkages (–O–(C=O)–(NH)–; see Figure 2.2) formed by the

reaction of the functional groups involved [5]. Moreover, because of the presence of

polyfunctional groups available for reaction, cross-links can be formed (see Figure 2.3)

[6]. Depending on the application, the isocyanate and polyol used for PU synthesis are

varied to obtain a wide variety of material properties to satisfy requirements. For

example, PU elastomers are produced by reacting a diisocyanate with a combination of

high molecular and low molecular weight diols, PU foams are produced by reacting

diisocyanate with a combination of high molecular weight triol and water, and PU

adhesives are produced by reacting a diisocyanate in stoichiometric excess with a

combination of two poly-(di)ol types—crystalline and amorphous [7-9]. Additionally,

catalysts, surfactants, blowing agents, cross linkers, flame retardants, light stabilizers, and

fillers are introduced in the PU formulation to control reactions and achieve certain

product characteristics [6].

Figure 2.1. PU Market 2021 [1]

3
 In the case of producing PU foams, a blowing reaction can happen simultaneously

with the polymer cross-linking. While the cross–linking happens by virtue of the reaction

between available isocyanate and polyol, a blowing reaction happens by virtue of the

reaction between available isocyanate and water (see Figure 2.4) or by the evaporation of

a physical blowing agent. Water is conventionally used in producing PU foams. In water-

blown foaming process, the reaction between an isocyanate group and water produce

gaseous carbon dioxide (CO2) responsible for the foam expansion. [6]

Figure 2.2. Generalized PU Reaction [5]

Figure 2.3. Cross-linking in PU Polymers [6]

4
 Figure 2.4. Generalized Blowing Agent Reaction [6]
Aside from the PU-forming and blowing reactions, other reactions can also take

place during the foam production. For example, available isocyanate can react with the

amine formed from water-blown reactions and produce a disubstituted urea. The

disubstituted urea, furthermore, can react with a free isocyanate group and create a biuret

product. Also, available isocyanate groups can react with the urethane product and

produce allophanate (see Figure 2.5). [6] Moreover, the presence of other functional

groups in the ingredients involved and impurities can lead to several side reactions.

Figure 2.5. Other Reactions in PU Foam Production when water is used as a blowing agent [6]

5
2.3. Gaps in the PU Manufacturing Industry, Current Alternatives, and Coconut

Oil as a Polyol Source for RPUF Production

Currently, however, PU industries rely heavily on the petroleum industry, having

both isocyanates and polyols for PU production largely derived from petroleum. With

increasing concerns regarding the rapid depletion of fossil fuels, the utilization of bio-

based polyols as a renewable alternative became of prime interest in the sustainable

growth of the PU industry. Depending on the geographical location, some common raw

materials used for the production of bio-based polyols include rapeseed and sunflower

oils in Europe, soybean oil in America, and palm and coconut oils in Asia. [10-13] In the

Philippines, coconut is one of the major crops, contributing 3.6% of the country's gross

value-added (GVA) in agriculture through coco-based products including oleochemicals

such as coconut oil [14-17]. The country’s annual coconut production is estimated at an

average of 14.5 metric tons from 2011 to 2020 on nearly 30% of the country’s total

farmlands [18]. With this abundance of the coconut supply, the opportunity for value

addition in its supply chain and the coconut industry, and the sustainability they offer to

PU process industries, research on coconut oil as a raw material for RPUF production

comes very significant. Recent studies have reported the feasibility of using polyols

synthesized from coconut oil in the development of bio-based PU foams with high

performance. Leng, et al. made PU foams from CO-based polyols synthesized by a one-

step process through the purification of industrial coconut fatty acid diethanolamide. [19]

Dingcong, et al. made PU foams from CO-based polyols synthesized through sequential

glycerolysis and amidation reactions. [18] Both authors highlight that the intrinsic tertiary

6
amine moiety in the CO-based polyol by virtue of its synthesis/functionalization endowed

an auto-catalytic effect in the foaming process by accelerating the blowing reaction with

water. Ultimately, foaming processes with shorter cream time and gel time resulted

compared to those utilizing commercial petroleum-based polyols.

Most vegetable oils are functionalized to polyols before they can be used in PU

manufacturing [10-13, 18-19]. It is due to their geopolitical advantage and abundance, the

sustainability they offer, and the simplicity of their preparation process that material

scientists (and of the like) use them for the purpose. Leng, et al. further adds that PU

foams made from such materials are recyclable [19]. Their functionalization, however,

exists as a critical concern for the PU foam production due to the possibility of producing

polyols of autocatalytic foaming effect. Though faster curing of PU foams may be desired

for increased product throughput, very fast cream times or accelerated blowing reactions

coupling with reactions of relatively slower gel time or cross linking/length propagation

can also in products of reduced mechanical properties. For example, because the blowing

reactions of the CO-based RPUFs become accelerated as a result of their prior polyol

functionalization, the mechanical properties of the resulting foam, at some formulations,

can be sacrificed as cross-links from CO-based polyols have less resistance to the

expansion force because they are short-chained. Meanwhile, if the gel time is too short

i.e., if the gelling reaction is very much faster than the blowing reaction, the abrupt

increase of mixture viscosity due to the resin formation can hinder desired foam

expansion, leading to products of undesirable size and density, among many others. [18-

20] The fine-tuning of blowing and gelling reactions therefore exists as a crucial

7
endeavor for every material scientist (or the like), whereby foresight of the cream time

and gel time comes as an invaluable resource in composing PU formulations, especially

those utilizing bio-based polyols, to achieve certain product qualities following desired

timelines or throughput targets. However, experimental foaming of experimental

formulations and experimental ingredients and the determination of gel time and cream

time thereof can be resource- and time-intensive for each run, reflect large errors, and

yield a myriad of wastes. Thus, a fast, reliable, non-waste generating method with

minimal resource utilization such as computer-aided kinetic simulations that can give

good foresight on a foaming process’ cream time and gel time is a sought-out asset in PU

design.

2.4. PU Kinetic Simulations

While studies involving computational kinetic simulations exist, those that

highlight the cream time and gel time are less common. Moreover, existing

numerical/computational kinetic studies have been concentrated on commercial polyols,

and kinetic simulations using coconut-based polyols have been scarce. Krol, et al.

developed a software for PU systems that are able to obtain two-dimensional diagrams of

the kinetic changes of: (a) concentrations of monomer, dimer, trimer, and further

fractions etc. specified as mole fraction or mass fraction, (b) conversion levels, e.g. for –

OH groups or –NCO, (c) number average molecular weight (MWn) for linear PU through

the simulation [21]. Suppes and their colleagues developed a simulation method to

estimate dynamic concentrations, degree of polymerization, blowing agent evaporation,

8
and many other parameters involved in PU synthesis [22-25]. Rusche, et al. recently

developed MoDeNa, a multi-scale simulation framework for simulating PU foams that

unify several of their prior software of which kinetic output parameters included bubble

growth rate, foam density, conversion of components, reaction temperature profile, and

bubble radius [26]. Raimbault, et al. developed FOAMAT®, a device for the

determination of relevant physical parameters involved in the viscosity evolution, gas

expansion, and curing of PU foam systems such as dynamic foam height, reaction

temperature, vertical velocity of the foam/air interface measured on the axis of symmetry

of the container, and gas content [27]. Wright, et al. developed an open-source Raspberry

Pi device for monitoring polyurethane foaming reactions, FoamPi, that measures and

records the temperature rise, change in foam height as well as changes in the mass during

the reaction utilizing its organic software package [28]. The abovementioned works have

no evident highlight on cream time and gel time determination as a kinetic program

output, and in most of them, the models and their validity were on the formation of PU

products based from commercial ingredients. Al-Moamerie, et al. applied kinetic models

developed from commercial polyols to study the impact of the maximum foaming

reaction temperature on reducing foam shrinkage using soybean oil-based polyols [29]

but soybean oil have different composition from coconut oil, thus polyols derived from

the different materials have different functionality and will exhibit different kinetics (see

Figure 2.6: while soybean oil is mainly composed of the polyunsaturated linoleic acid,

coconut oil is mostly composed of the saturated lauric acid).

9
 Figure 2.6. Lipid profiles of different vegetable oils [11]

Furthermore, reactions models used in existing kinetic-based computational

simulations assumed that the reactivities of hydroxyl groups depend upon the polyol of

origin and have not been evaluated on CO-based polyols or mixtures thereof with

commercial polyols. Zhao, et al.’s work on modelling PU systems, which provided bases

for several kinetic studies, confirmed the validity of reaction kinetic models of RPUF

productions following the mentioned assumption (see Eq. 2.1 where, r gel ,i represents the

instantaneous rate of gelling reaction between an isocyanate and polyol i, k gel ,i represents

the instantaneous rate constant for the gelling reaction,C iso represents the instantaneous

isocyanate concentration, and C OH , i the instantaneous polyol i concentration.) [30]. The

validation of his model, however, was based mixtures of commercial polyols, and so far,

throughout the transcendence of his model in different works. In a cluster of works, a

summary of the reactions acknowledged or suggested in their simulation endeavors is

presented in Table 2.1 [23-25, 30-32], with most works reported verified models of 2 nd-

order overall kinetics for each reaction (or 1 st-order with respecting to each reactants

involved). However, Zhao, et al., otherwise modeled the impact of catalyst in modified

rate constants as in Eq. 2.2, where k represents a rate constant of a reaction, kuncat

10
represents the rate constant of a reaction if it were uncatalyzed, [cat i]0 represents the

initial reaction catalyst i concentration, and kcat i represents the rate constant of a

reaction if it were catalyzed by catalyst i. [31]. Ghoreishi, et al., further reported verified

reaction models highlighting the effect of the nature of the reacting hydroxyl groups

involved in the PU production (see Figure 2.7) [32].

r gel ,i= k gel ,i ×C iso × COH , i Eq . 2.1

k = k uncat + ∑ ( [cat i]0 ×k cat i ) Eq. 2. 2

Table 2.1. Theoretical reactions occurring for the PU foam production* [23-25, 30-32]
No. Reaction No. Reaction
1a A + Bi → P 3d APX + B i P → P
1b A + BiP → P 4a A + W → N + CO2
1c AP + Bi → P 4b AP + W → N + C O2
1d AP + Bi P → P 5a A + N → P
2a A + BiX → P 5b A + NP → P
2b A + B i PX → P 5c AP + N → P
2c AP + Bi X → P 5d NP + AP → P
2d AP + Bi PX → P 6a A + Ur → Y
3a AX + Bi → P 6b A + UrP → Y
3b AX + Bi P → P 6c AP + Ur → Y
3c APX + B i → P 6d AP + UrP → Y
*A = Isocyanate, Bi = Polyol i, AP = A on Polymer, BP = Bi on Polymer, X = Catalyst, P = PU,
W = Water, N = Amine, CO2 = Carbon Dioxide, NP = N on Polymer, Ur = Disubstituted Urea/Urethane,
UrP = Ur on Polymer, Y = Biuret/Allophanate

11
 Figure 2.7. Reaction models considering the effect of
the nature of the reacting -OH involved in the PU production [33]

2.5. Numerical Approach on Determining PU Cream Time and Gel Time

Cream time is conventionally measured as the time interval between the final

mixing of all the foam ingredients and the time at which their mixture turns creamy with

evolution of some bubbles, while gel time is conventionally measured as the time the

foam starts to expand/foam height starts to rise. Ashida, et al. visualized these times as

the domain of points a and b in Figure 2.8 [34]. Meanwhile, following Mckennon’s

approach on determining cream temperature, the cream time can be estimated as the time

when the temperature initially increases as in Figure 2.9 [35]. Numerically, this can be

found as the earlier critical point or point of inflection in a reaction temperature profile,

12
or estimated as the initial large increase of the reaction temperature as a function of time.

The temperature profile or the temperature (T) versus time (t) graph of a PU foam

production can be estimated as the solution to the differential equation presented as Eq.

2.3, where ∆ H gel represents the heat involved in the gelling reaction i, r gel represents the

rate of the gelling reaction i, ∆ H blow represents the heat involved in a chemically-blown

reaction i, r blow represents the reaction rate of a chemical blowing agent i, ∆ H vap ,i

represents the heat involved in physically blown foaming process i, U represents the

overall heat transfer coefficient from the surroundings (having the PU foaming reaction

as the system), A represents the surface area of the foam related to different foam height,

T s represents the temperature of the surroundings, and ∑ ( n ×C p ) represents the

summation of heat capacities of all chemicals used [23-25, 30-32]. With a database or

guess of pertinent physical, thermodynamic, and kinetic parameters and information on

initial conditions, the solution to Eq. 2.3. Computer programs or scripts can be written,

and some heuristics can be assumed to simplify the computational process.

dT
∑ ∆ Hgel,i r gel,i + ∑ ∆ H blow,i r blow,i + ∑ ∆ H vap ,i + UA( Ts -T (t) )
i i i
= Eq. 2.4
dt ∑ ( n×Cp (T))
Furthermore, several studies have cited the point at which resin viscosity becomes

infinite as gel point. Thus, pertinent to a numerical approach using this definition is a

model of the time-dependence of resin viscosity which may be experimentally

challenging for foaming systems. Orrick & Erbar reported mixture viscosities following

Eq. 2.4. Al-Moamerie have reported verified resin viscosity profiles of verified models

following the Orick & Erbar model but neglecting the excess Gibb’s Free Energy factor.

13
However, imperative to their model is the temperature-dependence parameters of the

liquid ingredient pure-component viscosities. In this case, authors have used the group-

contribution approach by Nissan modified and updated by Fu et al. especially for PU

reacting systems. For some commercial reagent-grade ingredients, a database of the

parameters is available from the authors’ studies. Linear regression from experimental

temperature-viscosity studies can provide good approximates of parameters A and B for

newer liquids whose composition and molecular structure is not known with great extent.

With a thermos-rheological model of the reacting species, the mixture viscosity as such

as polyurethane resin thus the gel point of the reaction can be found. Numerically, the gel

point or at which resin viscosity becomes infinite as can simply be determined as the max

point of the resin viscosity profile.

2.6. MATLAB as a superior Programming Software and Language in Simulations

Equations 2.1 to 2.3 can be combined in a code in many programming platforms to

simulate a T vs. t PU foam profile. Depending on the programming platform, a graphical

or tabular profile may be generated. Depending on available information and program

features, codes can also be written to determine certain parameters. [Insert intro about the

hassles of brute force computations/method, highlight other computer-aided features:

resizable, pannable, etc. graph, higher/larger data storage, possibility of solving complex

matrix operations at shorter times

[1] Grand View Research. (2022). Polyurethane Market Size, Growth, Share & Trends

Analysis Report By Product (Rigid Foam, Flexible Foam), By Application

(Construction, Furniture & Interiors), By Region, And Segment Forecasts, 2022 -

14
 2030 2022-2030.

https://www.grandviewresearch.com/industry-analysis/polyurethane-pu-market

[2] Philippine News Agency. (2021, July 19). ‘Build, Build, Build’ delivers, sets up

infra for future. https://www.pna.gov.ph/articles/1144279

[3] World Population Review. (2019). Philippines Population 2022 (Live). UN

Department of Economic and Social Affairs Population Dynamics - World

Population Prospects (2019 Revision).

https://worldpopulationreview.com/countries/philippines-population

[4] Philippine Development Plan. (2019). Updated Philippine Development Plan

2017-2022. https://pdp.neda.gov.ph/updated-pdp-2017-2022/

[5] Department of Chemistry, University of York. (2017, April 24). Polyurethanes.

The Essential Chemical Industry - online. Retrieved from

https://www.essentialchemicalindustry.org/polymers/polyurethane.html

[6] Dow. (1997). Flexible PU foams (Second Edition). The Dow Chemical Company.

[7] Engineering Plastics. (2021). What is Elastomer and its Uses? Retrieved from

Engineering Plastics: https://www.engplastics.com.au/what-is-elastomer-and-its-

uses

[8] MT Copeland. (2020, November 17). Polyurethane Glue: When to Use This

Construction Adhesive. Retrieved from Copeland:

https://mtcopeland.com/blog/polyurethane-glue-when-to-use-this-construction-

adhesive/

15
[9] American Chemistry Council. (2021). Polyurethane Applications. Retrieved from

American Chemistry: https://www.americanchemistry.com/industry-groups/center-

for-the-polyurethanes-industry-cpi/applications-benefits/polyurethane-applications

[10] Zieleniewska, M., Leszczyński, M. K., Kurańska, M., Prociak, A., Szczepkowski,

L., Krzyżowska, M., & Ryszkowska, J. (2015). Preparation and characterisation of

rigid polyurethane foams using a rapeseed oil-based polyol. Industrial Crops and

Products, 74, 887-897. https://doi.org/10.1016/j.indcrop.2015.05.081

[11] Furtwengler, P., & Avérous, L. (2018). Renewable polyols for advanced

polyurethane foams from diverse biomass resources. Polymer Chemistry, 9(32),

4258-4287. https://doi.org/10.1039/C8PY00827B

[12] Malani, R. S., Malshe, V. C., & Thorat, B. N. (2022). Polyols and polyurethanes

from renewable sources: past, present and future—part 1: vegetable oils and

lignocellulosic biomass. Journal of Coatings Technology and Research, 19(1), 201-

222. https://doi.org/10.1007/s11998-021-00490-0

[13] Z Malani, R. S., Malshe, V. C., & Thorat, B. N. (2022). Polyols and polyurethanes

from renewable sources: past, present, and future—part 2: plant-derived

materials. Journal of Coatings Technology and Research, 1-15.

https://doi.org/10.1007/s11998-021-00534-5

[14] Castillo, M. B., & Ani, P. A. B. (2019, June 13). The Philippine coconut industry:

status, policies and strategic directions for development. Food and Fertilizer

Technology Center for the Asian and Pacific Region.

https://ap.fftc.org.tw/article/1382

16
[15] Republic of the Philippines Department of Agriculture Communications Group.

(2021, July 6). New roadmap will pave way to modernizing Phl coconut sector.

https://www.da.gov.ph/new-roadmap-will-pave-way-to-modernizing-phl-coconut-

sector/

[16] Republic of the Philippines Department of Trade & Industry. (2022, January 12).

PH exports continue to recover boosted by surge in coconut oil sales.

https://www.dti.gov.ph/negosyo/exports/emb-news/ph-exports-continue-to-recover-

boosted-by-surge-in-coconut-oil-sales/

[17] Philippine Coconut Authority. (n.d.). Coco Oil Recorded its Biggest Jump in PH

Export Value. https://pca.gov.ph/index.php/10-news/403-coco-oil-recorded-its-

biggest-jump-in-ph-export-value

[18] Dingcong, R., Malaluan, R., Alguno, A., Estrada, D., Szczepkowski, L., Lubguban,

A. A., Resurreccion, E., Dumancas, G., Al-Moameri, H. & Lubguban, A. A. A

Novel Reaction Mechanism for the Synthesis of Coconut Oil-Derived Biopolyol for

Rigid Poly(urethane-urea) Hybrid Foam Application. RSC 2023, accepted

[19] Leng, X., Li, C., Cai, X., Yang, Z., Zhang, F., Liu, Y., ... & Zhang, X. (2022). A

study on coconut fatty acid diethanolamide-based polyurethane foams. RSC

advances, 12(21), 13548-13556. https://doi.org/10.1007/s11998-021-00490-0

[20] Zhao, Y., Zhong, F., Tekeei, A., & Suppes, G. J. (2014, January 17). Modeling

impact of catalyst loading on polyurethane foam polymerization. Applied Catalysis

A: General, 469, 229-238. https://doi.org/10.1016/j.apcata.2013.09.055

17
[21] Krol, P. (2007). Synthesis methods, chemical structures and phase structures of

linear polyurethanes. Properties and applications of linear polyurethanes in

polyurethane elastomers, copolymers and ionomers. Progress in materials science,

52(6), 915-1015. https://doi.org/10.1016/j.pmatsci.2006.11.001

[22] Suppes, G. J. (2015). U.S. Patent Application No. 14/543,374

[23] Zhao, Y. (2015). Modeling and experimental study of polyurethane foaming

reactions. (Doctoral dissertation, University of Missouri-Columbia.

https://mospace.umsystem.edu/

[24] Al-Moameri, H. H. (2017). Simulation aided analysis and experimental study of

polyurethane polymerization reaction and foaming process (Doctoral dissertation,

University of Missouri-Columbia). https://mospace.umsystem.edu/

[25] Jaf, L. (2018). Modeling and Experimental Study of Polyurethane Foaming and

Gelling Reactions. (Doctoral dissertation, University of Missouri-Columbia).

https://mospace.umsystem.edu/

[26] Rusche, H., Karimi, M., Ferkl, P., & Karolius, S. (2019). Simulating Polyurethane

Foams Using the MoDeNa Multi-scale Simulation Framework.

In OpenFOAM® (pp. 401-417). Springer, Cham.

https://doi.org/10.1007/978-3-319-60846-4_29

[27] Raimbault, C., Laure, P., François, G., Boyer, S., Vincent, M., Choquart, F., &

Agassant, J. F. (2021). Foaming parameter identification of polyurethane using

FOAMAT® device. Polymer Engineering & Science, 61(4), 1243-1256.

https://doi.org/10.1002/pen.25676

18
[28] Wright, H. C., Cameron, D. D., & Ryan, A. J. (2022). FoamPi: An open-source

raspberry Pi based apparatus for monitoring polyurethane foam

reactions. HardwareX, 12, e00365. https://doi.org/10.1016/j.ohx.2022.e00365

[29] Al-Moameri, H., Ghoreishi, R., Zhao, Y., & Suppes, G. J. (2015). Impact of the

maximum foam reaction temperature on reducing foam shrinkage. RSC

Advances, 5(22), 17171-17178. https://doi.org/10.1039/C4RA12540A

[30] Zhao, Y., Gordon, M. J., Tekeei, A., Hseih, F.-H., & Suppes, G. J. (2013).

Modeling Reaction Kinetics of Rigid Polyurethane Foaming Process. Journal of

Applied Polymer Science, Vol. 130(2), 1131-1138.

https://doi.org/10.1002/app.39287

[31] Zhao, Y., Zhong, F., Tekeei, A., & Suppes, G. J. (2014, January 17). Modeling

impact of catalyst loading on polyurethane foam polymerization. Applied Catalysis

A: General, 469, 229-238. https://doi.org/10.1016/j.apcata.2013.09.055

[32] Ghoreishi, R., Zhao, Y., & Suppes, G. J. (2014). Reaction modeling of urethane

polyols using fraction primary secondary and hindered‐secondary hydroxyl

content. Journal of Applied Polymer Science, 131(12).

https://doi.org/10.1002/app.40388

[33] Ashida, K. (2006). Polyurethane and related foams: chemistry and technology.

CRC press. https://doi.org/10.1201/9780203505991

[34] Rusche, H., Karimi, M., Ferkl, P., & Karolius, S. (2019). Simulating Polyurethane

Foams Using the MoDeNa Multi-scale Simulation Framework.

19
In OpenFOAM® (pp. 401-417). Springer, Cham.

https://doi.org/10.1007/978-3-319-60846-4_29

20