ORIGINAL_ARTICLE
Optimization of 1,3-butadiene monomer coordination polymerization using response surface methodology (RSM)
Laboratory runs can be minimized via experimental design which yields the optimum and best data regarding the independent parameters. In this research work, response surface methodology (RSM) based on a threelevel central composite design (CCD) was utilized to optimize and evaluate the interactive effects of processing conditions for polymerization of 1,3-butadiene (Bd) diene monomer using Ziegler-Natta catalyst. The polybutadiene rubber (PBR) having different cis content and molecular weight was obtained. The catalyst components included neodymium versatate (NdV3) as catalyst, triethyl aluminum (TEAL) as cocatalyst or activator, and ethylaluminum sesquichloride (EASC) as chloride donor. For the modeling, three independent variables, namely monomer concentration (8-28 wt%), reaction time (1.5-2.5 h), and reaction temperature (45-75ºC) at three levels were selected to optimize the dependent variables or responses including monomer conversion, viscosity-average molecular weight and the cis isomer content of the obtained polymer. The interaction between three crucial parameters was studied and modeled. Quadratic models were obtained to relate process conditions to dependent variables. It was observed that the optimal conditions predicted by RSM were consistent with the experimental data. Statistical analysis demonstrated that concentration of the monomer and the time of reaction significantly affected cis content. Moreover, processing conditions to achieve the desired response variables were predicted and experimentally approved. The optimal reaction conditions derived from RSM are monomer concentration = 19 wt%, polymerization time = 2 hours, and polymerization temperature = 50ºC. Polymerization was carried out at optimum conditions. The appropriate level of dependent variables including 94.2% monomer conversion, 151812 g/mol viscosity-average molecular weight and 98.8% cis content was acquired.
http://poj.ippi.ac.ir/article_1772_b749fc84c59a12da8e3dd98651364360.pdf
2021-07-01
63
72
10.22063/poj.2021.2767.1166
Ziegler-Natta
polybutadiene rubber
Processing conditions
Neodymium versatate
Response surface method
Ahmad-Ali
Shokri
aa_shokri@sut.ac.ir
1
Faculty of Polymer Engineering, Sahand University of Technology, P.O. Box: 51335-1996, Tabriz, Iran
AUTHOR
Saeid
Talebi
talebi@sut.ac.ir
2
Faculty of Polymer Engineering, Sahand University of Technology, P.O. Box: 51335-1996, Tabriz, Iran
LEAD_AUTHOR
Mehdi
Salami-Kalajahi
m.salami@sut.ac.ir
3
Faculty of Polymer Engineering, Sahand University of Technology, P.O. Box: 51335-1996, Tabriz, Iran
AUTHOR
Neusa MTP, Fernanda MBC, Marcos ASC (2004) Synthesis and characterization of high Cis-polybutadiene: Influence of monomer concentration and reaction temperature. Eurp Polym J 40: 2599-2603
1
Shokri A-A, Talebi S, Salami-Kalajahi M (2020) Polybutadiene rubber/graphene nanocomposites prepared via in-situ coordination polymerization using neodymium-based Ziegler-Natta catalyst. Ind Eng Chem Res 59:15202-15213
2
Ganjeh-Anzabi P, Haddadi-Asl V, Salami- Kalajahi M, Abdollahi M (2013) Kinetic investigation of the reversible addition-fragmentation chain transfer polymerization of 1,3-butadiene. J Polym Res 20: 248.
3
Friebe L, Nuyken O, Obrecht W (2006) Neodymium-based Ziegler-Natta catalyst and their application in diene polymerization. Adv Polym Sci 204: 1-154
4
Mello IL, Coutinho FMB, Nunes DSS, Soares BG, Costa MAS, Maria LCS (2004) Solvent effect in cis-1,4 polymerization of 1,3-butadiene by a catalyst based on neodymium. Eurp Polym J 40: 635-640
5
Coutinho FMB, Rocha TCJ, Mello IL, Nunes DSS, Soares BG, Costa MAS (2005) Effect of electron donors on 1,3-butadiene polymerization by a Ziegler-Natta catalyst based on neodymium. J Appl Polym Sci 98: 2539-2543
6
Cabassi F, Italia S, Giarrusso A, Porri L (1986) The homopolymerization of 2,3-dimethyl- 1,3-butadiene and the copolymerization of 1,3-butadiene/2,3-dimethyl-1,3-butadiene using the catalyst system AlEt2Cl-Co(acac)2: A structural investigation of the products. Makromol Chem 187: 913-921
7
Wu LB, Li BG, Cao K, Li BF (2001) Styrene polymerization with ternary neodymium-based catalyst system: Effects of catalyst preparation procedures. Eurp Polym J 37: 2105-2110
8
Song G, Gu Z, Li P, Wang L, Gao L (2012) The properties of organo-montmorillonite/Cis-1,4- polybutadiene rubber nanocomposites and the effect of recovered solvent on the conversion of butadiene polymerization. Appl Clay Sci 65: 158-161
9
Dai Q, Zhang X, Hu Y, He J, Shi C, Li Y, Bai C (2017) Regulation of the cis-1,4- and trans- 1,4-polybutadiene multiblock copolymers via chain shuttling polymerization using a ternary neodymium organic sulfonate catalyst. Macromolecules 50: 7887-7894
10
Wang F, Liu H, Zheng W, Guo J, Zhang C, Zhao L, Zhang H, Hu Y, Bai C, Zhang X (2013) Fully-reversible and semi-reversible coordinative chain transfer polymerizations of 1,3-butadiene with neodymium-based catalytic systems. Polymer 54: 6716-6724
11
Chatarsa C, Prasassarakich P, Rempel GL, Hinchiranan N (2015) The influence of Ni/Nd-based Ziegler-Natta catalysts on microstructure configurations and properties of butadiene rubber. J Appl Polym Sci 132: 41834-41843
12
Bezerra MA, Santelli RE, Oliveira EP, Villar LS, Escaleira LA (2008) Response surface methodology (RSM) as a tool for optimization in analytical chemistry. Talanta 76: 965-977
13
Mason RL, Gunst RF, Hess JL (2003) Statistical design and analysis of experiments with application to engineering and science. 2nd ed., Wiley, New York
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Lundstedt T, Seifert E, Abramo L, Thelin B, Nystrӧm A, Pettersen J, Bergman R (1998) Experimental design and optimization. Chemo Intell Labor Syst 42: 3-40
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Yabalak E, Gormez O, Giriz AM (2018) Subcritical water oxidation of propham by H2O2 using response surface methodology (RSM). J Environm Sci Heal: Part B 53: 334-339
16
Myers RH, Montgomery DC, Anderson CM (2009) Response surface methodology: Process and product optimization using designed experiments. 3rd ed., Wiley, Hoboken, NJ
17
Chow WS, Yap YP (2008) Optimization of process variables on flexural properties of epoxy/ organo-montmorillonite nanocomposites by response surface methodology. eXPRESS Polym Lett 2: 2-11
18
Nassiri H, Arabi H, Hakim S, Bolandi S (2011) Polymerization of propylene with Ziegler-Natta catalyst: Optimization of operating conditions by response surface methodology (RSM). Polym Bull 67: 1393-1411
19
Najafi M, Haddadi-Asl V (2007) Effects of reaction and processing parameters on ethylene polymerization using different Ziegler-Natta catalysts: Employment of taguchi experimental design and response surface method. Chin J Polym Sci 25: 153-162
20
Shokri AA, Talebi S, Salami-Kalajahi M (2020) Polymerization of 1,3-butadiene using neodymium versatate: Optimization of NdV3/ TEAL/EASC molar ratios via response surface methodology (RSM). Polym Bull 77: 5245-5260
21
Mosaddeghi MR, Pajoum-Shariati F, Vaziri- Yazdi SA, Nabi-Bidhendi Gh (2018) Application of response surface methodology (RSM) for optimizing coagulation process of paper recycling wastewater using ocimum basilicum. Environm Tech 39: 1-9
22
Brzozowski B, Lewandowska M (2014) Prolyl endopeptidase - optimization of medium and culture conditions for enhanced production by lactobacillus acidophilus. Electron J Biotechn 17: 204-210
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Porri L, Giarrusso A (1989) Comprehensive polymer science: Polymerization of 1,3-dienes with neodymium catalyst. Pergamon Press, Oxford, 53-108
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Ni X, Li J, Zhang Y, Shen Z (2004) Gas Phase polymerization of 1,3-butadiene with supported neodymium-based catalyst: Investigation of molecular weight. J Appl Polym Sci 92: 1945- 1949
25
Liu J, Min X, Zhu X, Wang Z, Wang T, Fan X (2019) Synthesis of liquid polyisoprene with high cis-1,4 unit content and narrow molecular weight distribution using neodymium phosphate catalyst. Aust J Chem 72: 467-472
26
Chatarsa C, Prasassarakich P, Rempel GL, Hinchiranan N (2015) 1,3-butadiene polymerization using Co/Nd-based Ziegler/ Natta ctalyst: Microstructures and properties of butadiene Rubber. Polym Eng Sci 55(1): 14-21
27
Friebe L, Nuyken O, Windisch H, Obrecht W (2002) Polymerization of 1,3-butadiene initiated by neodymium versatate/diisobutylaluminium hydride/Ethylaluminum Sesquichloride: Kinetics and conclusions about the reaction mechanism. Macromol Chem Phys 203: 1055-1064
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Oehme A, Gebauer U, Gehrke K, Lechner MD (1996) The influence of ageing and polymerization conditions on the polymerization of butadiene using a neodymium catalyst System. Angew Makromol Chem 235: 121-130
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Enriquez-Medrano FJ, Lopez LA, Santiago- Rodriguez YA, Corral FS, Caballero HS, Quintanilla ML, Gomez RD (2015) Polymerization of 1,3-butadiene with neodymium chloride tripentanolate/triisobutylaluminum binary catalyst system: Effect of aging time and reaction temperature. J Polym Eng 35(2): 105- 111
30
Najafi B, Faizollahzadeh-Ardabili S, Shamshirband S, Chau KW, Rabczuk T (2018) Application of ANNs, ANFIS and RSM to estimating and optimizing the parameters that affect the yield and cost of biodiesel production. Eng Appl Comput Fluid Mach 12: 611-624
31
ORIGINAL_ARTICLE
Molecular dynamics simulation for polyethylene crystallization: Effect of long chain branches
The influence of long branches on crystallization behavior has been studied by means of molecular dynamics simulations. Using two systems: polyethylene (PE) with long branches (LCB-PE) and PE without long branches (linear-PE) with the same molecular weight, we have examined the crystallization behavior of the two systems by molecular dynamics simulation. This paper explains the influence of long branches on the isothermal crystallization process and the non-isothermal crystallization process with similar initial interchain contact fraction (ICF) in terms of final ICF, crystal regions, crystallinity, concentration of tie chains and energy. It is found that the crystallization process is classified as two stages: the nucleation stage and the crystal growth stage. The existence of long branches is favorable for the first stage while unfavorable for the second stage. Knots that act as crystalline defects are excluded from the lamella, resulting in decreasing in regularity and crystallinity of molecular chains. From the perspective of potential energy and non-bond energy, LCB-PE has lower energy than linear-PE in the nucleation stage while the energy of linear-PE is lower than that of LCB-PE in the second stage. In short, the long branched chains inhibit the crystallization process.
http://poj.ippi.ac.ir/article_1781_eca361ccc460205fc58d14727d5e62c8.pdf
2021-07-01
73
84
10.22063/poj.2021.2834.1173
molecular dynamics
crystallization
long branches
nucleation
tie chains
Jieqi
Wang
wangjq_kiki@163.com
1
Shanghai Key Laboratory of Multiphase Material Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
AUTHOR
Li
Zhao
zhaoli167010@sina.com
2
Shanghai Key Laboratory of Multiphase Material Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
AUTHOR
Minju
Song
13761295679@163.com
3
Shanghai Key Laboratory of Multiphase Material Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
AUTHOR
Fenge
Hu
510847630@qq.com
4
Guangxi Agricultural and Animal Husbandry Engineering School, Guangxi, China
AUTHOR
Xuelian
He
hexl@ecust.edu.cn
5
Shanghai Key Laboratory of Multiphase Material Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
LEAD_AUTHOR
Alt FP, Böhm LL, Enderle H-F, Berthold J (2001) Bimodal polyethylene– interplay of catalyst and process. Macromol Symp 163: 135-144
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Nilsson F, Lan X, Gkourmpis T, Hedenqvist MS, Gedde UW (2012) Modelling tie chains and trapped entanglements in polyethylene. Polymer 53: 3594-3601
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45
ORIGINAL_ARTICLE
Monomer effect on the chain transfer by diethyl zinc in olefin polymerization by metallocene catalysts
The present paper systematically studies the homo- and copolymerization of ethylene or propylene using metallocene as catalyst and diethyl zinc as chain transfer agent to obtain the polyolefin waxes with narrow molecular weight distribution and with a high activity. The molecular weight of the resultant polymer could be controllable by the concentration of diethyl zinc quantitatively. The introduction of a-olefin into the ethylene polymerization system would shield the chain transfer action, and the shielding effect in propylene (co) polymerization is more serious, due to the mass transfer resistance of the substituents on the monomers. Branched comonomer and long chain comonomer provide stronger shielding effect. The regression results show that the order of the chain transfer reaction of propylene polymerization is smaller than that of ethylene polymerization, and the order of the chain transfer reaction of copolymerization is less than that of homopolymerization. It indicates that the substituent on the monomer would result in the deviation of the regression data from the ideal primary reaction order.
http://poj.ippi.ac.ir/article_1784_3199152ed38d54771e3b2b262c673000.pdf
2021-07-01
85
91
10.22063/poj.2021.2845.1174
metallocene catalysts
olefin polymerization
chain transfer
diethyl zinc
molecular weight
Wei
Wang
wangw.bjhy@sinopec.com
1
Institute of Materials Science, Beijing Research Institute of Chemical Industry (BRICI), Sinopec, No. 14 Beisanhuan Donglu, Chao Yang District, Beijing, 100013, China
LEAD_AUTHOR
Taoyi
Zhang
zhangtaoybjhy@sinopec.com
2
Institute of Materials Science, Beijing Research Institute of Chemical Industry (BRICI), Sinopec, No. 14 Beisanhuan Donglu, Chao Yang District, Beijing, 100013, China
AUTHOR
Liping
Hou
houlp.bjhy@sinopec.com
3
Institute of Materials Science, Beijing Research Institute of Chemical Industry (BRICI), Sinopec, No. 14 Beisanhuan Donglu, Chao Yang District, Beijing, 100013, China
AUTHOR
Stürzel M, Mihan S, Mülhaupt R (2016) From multisite polymerization catalysis to sustainable materials and all-polyolefin composites. Chem Rev 116:1398-1433
1
Baruah U, Saikia PJ, Baruah SD (2020) Ni/Pd-catalyzed coordination-insertion copolymerization of ethylene with alkyl acrylate. Polym Bull 77: 105-6134
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Zapata PA, Zamora P, Canales DA, Quijada R, Benavente R, Rabagliati FM (2019) Preparation of nanocomposites based on styrene/(p-methylstyrene) and SiO2 nanoparticles, through a metallocene–MAO initiating system. Polym Bull 76: 1041–1058
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23
Jandaghian MH, Soleimannezhad M, Ahmadjo S, Mortazavi SMM, Ahmadi M (2018) Synthesis and characterization of isotactic poly(1-hexene)/ branched polyethylene multiblock copolymer via chain shuttling polymerization technique. Ind Eng Chem Res 57: 4807-4814
24
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González-Casamachin DA, Rosa JR, Lucio-Ortiza CJ, Rio DAH, Martínez-Vargas DX, Flores- Escamilla GA, Guzman NED, Ovando-Medina VM, Moctezuma-Velazquez E (2019) Visible-light photocatalytic degradation of acid violet 7 dye in a continuous annular reactor using ZnO/ PPy photocatalyst: Synthesis, characterization, mass transfer effect evaluation and kinetic analysis. Chem Eng J 373: 325–337
29
Liu Y, Pan J, Zhang J, Tang A, Liu Y (2012) Study on mass transfer-reaction kinetics of NO removal from flue gas by using a UV/fenton-like reaction. Ind Eng Chem Res 51: 12065−12072
30
ORIGINAL_ARTICLE
Dual-templated synthesis of Si-rich [B]-ZSM-5 for high selective light olefins production from methanol
Methanol dehydration is a high potential route for the production of light olefins (C2-C4). In this study, hierarchical Si-rich [B]-ZSM-5 catalysts (Si/Al= 200) were prepared through one-pot hydrothermal synthesis, including boron as a promoter and ethanol as a low-cost secondary template. N2 adsorptiondesorption, XRD, FE-SEM, and FT-IR techniques were applied to characterize the catalysts. The effect of different amounts of ethanol and different operating conditions was studied on the ZSM-5 catalyst preparation and performance in methanol-to-olefins (MTO) reaction. The results showed that the optimum amount of ethanol (ethanol/TPABr=5) led to the highest crystallinity (91.2%), the highest specific surface area (>400 m2g-1), and total pore volume (0.19 cm3g-1). The best catalytic performance was obtained at temperature of 480°C and methanol hourly space velocity (WHSV) of 7.2 h-1. The optimum catalyst had the highest propylene selectivity (58%) and light olefin selectivity (85%). The results proved the high capability of the new strategy for the efficient and fast development of the MTO catalyst.
http://poj.ippi.ac.ir/article_1786_c24e1da58ed58bc7416ed39b73bebeb8.pdf
2021-07-01
93
103
10.22063/poj.2021.2852.1176
Methanol to olefin
ZSM-5
dual template
ethanol
catalyst
Salman
Beyraghi
beyraghi1368@gmail.com
1
Faculty of Chemical Engineering, Sahand University of Technology, Sahand New Town, Tabriz, Iran, P.O. Box: 51335-1996
AUTHOR
Mohammad
Rostamizadeh
rostamizadeh.m@gmail.com
2
Faculty of Chemical Engineering, Sahand University of Technology, Sahand New Town, Tabriz, Iran, P.O. Box: 51335-1996
LEAD_AUTHOR
Reza
Alizadeh
chemeng.proj@gmail.com
3
Faculty of Chemical Engineering, Sahand University of Technology, Sahand New Town, Tabriz, Iran, P.O. Box: 51335-1996
AUTHOR
Galadima A, Muraza O (2015) Recent developments on silicoaluminates and silicoaluminophosphates in the methanol-to-propylene reaction: A mini review. Ind Eng Chem Res 54: 4891-4905
1
Ali MA, Ahmed S, Al-Baghli N, Malaibari Z, Abutaleb A, Yousef A (2019) A comprehensive review covering conventional and structured catalysis for methanol to propylene conversion. Catal Lett 149: 3395-3424
2
Gorzin F, Darian JT, Yaripour F, Mousavi SM (2019) Novel hierarchical HZSM-5 zeolites prepared by combining desilication and steaming modification for converting methanol to propylene process. J Porous Mater 26: 1407- 1425
3
Taniguchi T, Yoneta K, Nakaoka S, Nakasaka Y, Yokoi T, Tago T, Masuda T (2016) Methanol conversion reaction over MFI ferroaluminosilicate nano crystal. Catal Lett 146: 442-451
4
Ahmadpour J, Taghizadeh M (2015) Catalytic conversion of methanol to propylene over high-silica mesoporous ZSM-5 zeolites prepared by different combinations of mesogenous templates. J Nat Gas Sci Eng 23: 184-194
5
Wang X, Chen H, Meng F, Gao F, Sun C, Sun L, Wang S, Wang L, Wang Y (2017) CTAB resulted direct synthesis and properties of hierarchical ZSM-11/5 composite zeolite in the absence of template. Micropor Mesopor Mat 243: 271-280
6
Li H, Li X-G, Xiao W-D (2020) Collaborative effect of zinc and phosphorus on the modified HZSM-5 zeolites in the conversion of methanol to aromatics. Catal Lett 151: 955–965
7
Zhu H, Liu Z, Kong D, Wang Y, Yuan X, Xie Z (2009) Synthesis of ZSM-5 with intracrystal or intercrystal mesopores by polyvinyl butyral templating method. J Colloid Interface Sci 331: 432-438
8
Aziz A, Kim KS (2015) Investigation of tertiary butyl alcohol as template for the synthesis of ZSM-5 zeolite. J Porous Mater 22: 1401-1406
9
Ma T, Zhang L, Song Y, Shang Y, Zhai Y, Gong Y (2018) A comparative synthesis of ZSM-5 with ethanol or TPABr template: distinction of Brønsted/Lewis acidity ratio and its impact on n-hexane cracking. Catal Sci Technol 8: 1923- 1935
10
Zhang D, Wang R, Yang X (2009) Application of fractional factorial design to ZSM-5 synthesis using ethanol as template. Micropor Mesopor Mat 126: 8-13
11
Sacchetto V, Olivas Olivera DF, Paul G, Gatti G, Braschi I, Marchese L, Bisio C (2017) On the adsorption of gaseous mixtures of hydrocarbons on high silica zeolites. J Phys Chem C 121: 6081-6089
12
Ali M.A., Brisdon B., Thomas W.J., (2003) Synthesis, characterization and catalytic activity of ZSM-5 zeolites having variable silicon-to-aluminum ratios. Appl Catal A, 252, 149-162
13
Shirazi L, Jamshidi E, Ghasemi MR (2008) The effect of Si/Al ratio of ZSM-5 zeolite on its morphology, acidity and crystal size. Cryst Res Technol 43: 1300-1306
14
Rostamizadeh M, Yaripour F, Hazrati H (2018) High efficient mesoporous HZSM-5 nanocatalyst development through desilication with mixed alkaline solution for methanol to olefin reaction. J Porous Mater 25: 1287-1299
15
Rostamizadeh M, Yaripour F, Hazrati H (2018) Selective production of light olefins from methanol over desilicated highly siliceous ZSM- 5 nanocatalysts. Polyolefins J 5: 59-70
16
Adel Niaei H, Rostamizadeh M (2020) Adsorption of metformin from an aqueous solution by Fe- ZSM-5 nano-adsorbent: Isotherm, kinetic and thermodynamic studies. J Chem Thermo 142: 106003
17
Mohebbi S, Rostamizadeh M, Kahforoushan D (2020) Effect of molybdenum promoter on performance of high silica MoO3/B-ZSM-5 nanocatalyst in biodiesel production. Fuel 266: 117063
18
Mohebbi S, Rostamizadeh M, Kahforoushan D (2020) Efficient sulfated high silica ZSM-5 nanocatalyst for esterification of oleic acid with methanol. Micropor Mesopor Mat 294: 109845
19
Svelle S, Olsbye U, Joensen F, Bjørgen M (2007) Conversion of methanol to alkenes over medium- and large-pore acidic zeolites: Steric manipulation of the reaction intermediates governs the ethene/propene product selectivity. J Phys Chem C 111: 17981-17984
20
Rostamizadeh M, Jalali H, Naeimzadeh F, Gharibian S (2019) Efficient removal of diclofenac from pharmaceutical wastewater using impregnated zeolite catalyst in heterogeneous fenton process. Phys Chem Res 7: 37-52
21
Zhu Q, Kondo JN, Setoyama T, Yamaguchi M, Domen K, Tatsumi T (2008) Activation of hydrocarbons on acidic zeolites: Superior selectivity of methylation of ethene with methanol to propene on weakly acidic catalysts. Chem Commun 41: 5164-5166
22
Wang C, Xu J, Qi G, Gong Y, Wang W, Gao P, Wang Q, Feng N, Liu X, Deng F (2015) Methylbenzene hydrocarbon pool in methanol-to-olefins conversion over zeolite H-ZSM-5. J Catal 332: 127-137
23
Sedighi M, Towfighi J (2015) Methanol conversion over SAPO-34 catalysts; Systematic study of temperature, space–time, and initial gel composition on product distribution and stability. Fuel 153: 382-392
24
Schulz H (2018) About the mechanism of methanol conversion on zeolites. Catal Lett 148: 1263-1280
25
Zhang M, Xu S, Wei Y, Li J, Wang J, Zhang W, Gao S, Liu Z (2016) Changing the balance of the MTO reaction dual-cycle mechanism: Reactions over ZSM-5 with varying contact times. Chin J Catal 37: 1413-1422
26
Hajimirzaee S, Ainte M, Soltani B, Behbahani RM, Leeke GA, Wood J (2015) Dehydration of methanol to light olefins upon zeolite/alumina catalysts: Effect of reaction conditions, catalyst support and zeolite modification. Chem Eng Res Des 93: 541-553
27
Zhang J, Xu L, Zhang Y, Huang Z, Zhang X, Zhang X, Yuan Y, Xu L (2018) Hydrogen transfer versus olefins methylation: On the formation trend of propene in the methanol-to-hydrocarbons reaction over Beta zeolites. J Catal 368: 248-260
28
Yaripour F, Shariatinia Z, Sahebdelfar S, Irandoukht A (2015) Conventional hydrothermal synthesis of nanostructured H-ZSM-5 catalysts using various templates for light olefins production from methanol. J Nat Gas Sci Eng 22: 260-269
29
Jiao Y, Jiang C, Yang Z, Liu J, Zhang J (2013) Synthesis of highly accessible ZSM-5 coatings on SiC foam support for MTP reaction. Micropor Mesopor Mat 181: 201-207
30
Mei C, Wen P, Liu Z, Liu H, Wang Y, Yang W, Xie Z, Hua W, Gao Z (2008) Selective production of propylene from methanol: Mesoporosity development in high silica HZSM-5. J Catal 258: 243-249
31
Zhang S, Gong Y, Zhang L, Liu Y, Dou T, Xu J, Deng F (2015) Hydrothermal treatment on ZSM- 5 extrudates catalyst for methanol to propylene reaction: Finely tuning the acidic property. Fuel Process Technol 129: 130-138
32
Zhang Y, Zhu K, Duan X, Li P, Zhou X, Yuan W (2014) Synthesis of hierarchical ZSM-5 zeolite using CTAB interacting with carboxyl-ended organosilane as a mesotemplate. RSC Adv 4: 14471-14474
33
ORIGINAL_ARTICLE
Ethylene yield in a large-scale olefin plant utilizing regression analysis
The research was carried out in a large-scale olefin process to see how different variables affect ethylene yield in an actual fluctuating plant condition. Regression analysis was adopted using Minitab Software Version 18 to create a reliable ethylene yield model. Regression analysis is a robust, practical, and advanced tool that is used in various applications as an alternative to the complex, expensive, and restricted simulation software that is specifically designed for the olefin process. The 1688 data taken from the studied plant underwent outliers and residuals removal utilizing normality and stability tools in Minitab for the analysis to be conducted as normal data. The Regression was conducted a few times until all variables satisfactorily met the multicollinearity criteria with Variance Inflation Factor (VIF) < 10 and 95% confidence level criteria with P-Value < 0.05. The final Regression model established 4 significant variables which were Hearth Burner Flow, Integral Burner Flow, Super High- Pressure Steam (SHP) Temperature, and Naphtha Feed Flow by factors of -0.001266, 0.04515, -0.0795, and 0.2105, respectively. The maximum ethylene yield was calculated at 31.75% using Response Optimizer with the recommended operating conditions at 9908.50 kg/h Hearth Burner Flow, 600.39 kg/h Integral Burner Flow, 494.65°C SHP Temperature, and 63.50 t/h Naphtha Feed Flow.
http://poj.ippi.ac.ir/article_1789_0db1e8f33766f2c9969d2d1c78850b48.pdf
2021-07-01
105
113
10.22063/poj.2021.2795.1169
Olefin yield
steam cracker furnace
optimization
statistical analysis
minitab
Mohamad Hafizi
Zakria
fizietranung@gmail.com
1
School of Chemical and Energy Engineering, Faculty of Engineering, Universiti Teknologi Malaysia, 81310, Johor, Malaysia
LEAD_AUTHOR
Mohd Ghazali
Mohd Nawawi
ghazalinawawi@utm.my
2
School of Chemical and Energy Engineering, Faculty of Engineering, Universiti Teknologi Malaysia, 81310, Johor, Malaysia
AUTHOR
Mohd Rizal
Abdul Rahman
mohdrizal@petronas.com.my
3
Steam Cracker Complex, Manufacturing Division, Pengerang Integrated Refining Complex, 81600, Johor, Malaysia
AUTHOR
Mohd Anas
Saudi
anas_saudi@petronas.com.my
4
Steam Cracker Complex, Manufacturing Division, Pengerang Integrated Refining Complex, 81600, Johor, Malaysia
AUTHOR
Zakria MH, Omar AA, Bustam MA (2016) Mercury removal of fluctuating athane feedstock in a large scale production by sulphur impregnated activated carbon. Procedia Eng 148: 561-567
1
Feli Z, Darvishi A, Bakhtyari A, Rahimpour MR, Raeissi S (2017) Investigation of propane addition to the feed stream of a commercial ethane thermal cracker as supplementary feedstock. J Taiwan Inst Chem Eng 81: 1-13
2
Zakria MH, Mohd Ghazali MN, Abdul Rahman MR (2021) Ethylene yield from a large scale naphtha pyrolysis cracking utilizing response surface methodology. Pertanika J Sci Technol 29: 791-808
3
Shi H, Su C, Cao J, Li P, Liang J, Zhong G (2015) Nonlinear adaptive predictive functional control based on the Takagi–Sugeno model for average cracking outlet temperature of the ethylene cracking furnace. Ind Eng Chem Res 54: 1849- 1860
4
Song H, Su C-l, Shi H, Li P, Cao J-t (2019) Improved predictive functional control for ethylene cracking furnace. Meas Control 52: 526-539
5
Van de Vijver R, Vandewiele N, Bhoorasingh P, Slakman B, Seyedzadeh Khanshan F, Carstensen HH, Reyniers MF, Marin B, West R, Van Geem K (2015) Automatic mechanism and kinetic model generation for gas- and solution-phase processes: A perspective on best practices, recent advances, and future challenges. Int J Chem Kinet 47: 199- 231
6
Vangaever S, Reyniers PA, Symoens SH, Ristic ND, Djokic MR, Marin GB, Van Geem KM (2020) Pyrometer-based control of a steam cracking furnace. Chem Eng Res Design 153: 380-390
7
Fan T-J, Luo R, Xia H, Li X (2015) Using LMDI method to analyze the influencing factors of carbon emissions in China’s petrochemical industries. Nat Hazards 75: 319-332
8
Nikolaidis IK, Franco LFM, Vechot LN, Economou IG (2018) Modeling of physical properties and vapor – liquid equilibrium of ethylene and ethylene mixtures with equations of state. Fluid Ph Equilibria 470: 149-163
9
Gong S, Shao C, Zhu L (2017) Energy efficiency evaluation based on DEA integrated factor analysis with respect to operation classification in ethylene production. Chin J Chem Eng 25: 793-799
10
Brayden M, Hines D, Graham J, Pickett T (2008) Top 5 contaminants in ethylene production unit feedstock. In: 2012 AIChE Annual Meeting. AIChE, New Orleans, Lousiana
11
Sadrameli SM (2015) Thermal/catalytic cracking of hydrocarbons for the production of olefins: A state-of-the-art review I: Thermal cracking review. Fuel 140: 102-115
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Wang Z, Han Y, Li C, Geng Z, Fan J (2021) Input-output networks considering graphlet-based analysis for production optimization: Application in ethylene plants. J Clean Prod 278: 123955
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Pu X, Shi L (2013) Commercial test of the catalyst for removal of trace olefins from aromatics and its mechanism. Catal Today 212: 115-119
14
Dente M, Ranzi E, Goossens AG (1979) Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation model (SPYRO). Comput Chem Eng 3: 61-75
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Toufighi J, Karimzadeh R, Saedi G, Hosseini S, Morafahi M, Mokhtarani B, Niaee A, Sadr AM (2004) SHAHAB-A PC-based software for simulation of steam cracking furnaces (ethane and naphtha). Iran J Chem Eng 1: 55-70
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Joo E, Lee K, Lee M, Park S (2000) CRACKER - a PC based simulator for industrial cracking furnaces. Comput Chem Eng 24: 1523-1528
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Joo E, Park S (2001) Pyrolysis reaction mechanism for industrial naphtha cracking furnaces. Ind Eng Chem Res 40: 2409-2415
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Reyniers PA, Schietekat CM, Kong B, Passalacqua A, Van Geem KM, Marin GB (2017) CFD simulations of industrial steam cracking reactors: Turbulence–chemistry interaction and dynamic zoning. Ind Eng Chem Res 56: 14959- 14971
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Van Cauwenberge DJ, Vandewalle LA, Reyniers PA, Van Geem KM, Marin GB, Floré J (2017) Periodic reactive flow simulation: Proof of concept for steam cracking coils. AIChE J 63: 1715-1726
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Hillewaert LP, Dierickx JL, Froment GF (1988) Computer generation of reaction schemes and rate equations for thermal cracking. AIChE J 34: 17-24
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Junfeng Z, Zhiping P, Delong C, Qirui L, Jieguang H, Jinbo Q (2019) A method for measuring tube metal temperature of ethylene cracking furnace tubes based on machinelearning and neural network. IEEE Access 7: 158643-158654
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Wang Z, Li Z, Feng Y, Rong G (2016) Integrated short-term scheduling and production planning in an ethylene plant based on Lagrangian decomposition. Can J Chem Eng 94: 1723-1739
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35
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Shen L, Gong J, Liu H (2015) Effect of coking size on the thermal diffusion and stress distribution of Cr25Ni35Nb and Cr35Ni45Nb austenitic steels. Appl Mech Mater 750: 192-197
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Hair JF, Anderson RE, Tatham RL, Black WC (1995) Multivariate data analysis with readings. Prentice-Hall
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Haaland PD (1989) Experimental design in biotechnology. Marcel Dekker, New York
40
Wan Omar WNN, Nordin N, Mohamed M, Saidina Amin NA (2009) A two-step biodiesel production from waste cooking oil: Optimization of pre-treatment step. J Appl Sci 9: 3098-3103
41
ORIGINAL_ARTICLE
Natural rubber/natural rubber reclaim nanocomposites: Role of functional nanoparticles, mixing sequences and coupling agents
Elastomer vulcanizates based on natural rubber (NR), NR reclaim (NRR) and layered silicates were compounded in an internal mixer and cured on a two-roll mill. Cure characteristics and mechanical properties of samples based on 50NR/50NRR reinforced with Cloisite 20A, Cloisite 30B and Nanolin DK1 were compared to those of conventional NR/NRR/kaolin microcomposites. Due to the light/soft nature of organoclays suppressing the friction forces, the minimum torque values decreased in the presence of organoclays, whereas the crosslink density, evidenced by the difference between the maximum and minimum torque values, increased in all samples and scorch times shortened by 37% to a minimum in the presence of Nanolin alkaline/catalytic role in the cure reaction. Fatigue resistance improved by about 10% benefiting the crack tips blunting/energy consuming hysteresis mechanisms motivated by the organoclays among which Nanolin DK1 provides the most efficient dispersion/distribution of nanolayers by faster intragallery crosslinking reactions that pushes the stacks apart. Higher states of dispersion in this sample would also promote strain-induced crystallization under deformation responsible for the improvements seen in the modulus and elongation-at-break. Two-step mixing sequence further improved the compound performance due to the dispersion state progress confirmed by X-ray diffraction and transmission electron microscopy (20% in fatigue resistance and 53% in tensile modulus). In-situ compatibilization through bis(triethoxysilylpropyl)tetrasulfide bi-functional silane coupling agent also promoted modulus and fatigue resistance. However, a prolonged scorch time was observed due tothe blinded NR cure-reactive sites as well as steric hindrance of large functional groups in the presence of this coupling agent.
http://poj.ippi.ac.ir/article_1796_bf9400f685783bd244af4c5cf7315648.pdf
2021-07-01
115
122
10.22063/poj.2021.2893.1182
NR
Reclaimed NR
oganoclay
Mixing sequence
Coupling Agent
Shirin
Shokoohi
sh_shokoohi@aut.ac.ir
1
Chemical, Polymeric and Petrochemical Technology Development Research Division, Research Institute of Petroleum Industry, P.O. Box 14115-143, Tehran, Iran
LEAD_AUTHOR
Ghasem
Naderi
g.naderi@ippi.ac.ir
2
Depertment of Elastomer Engineering, Iran Polymer and Petrochemical institute, 1497713115,Tehran, Iran
AUTHOR
Junkong P, Cornish K, Ikeda Y (2017) Characteristics of mechanical properties of sulphur cross-linked guayule and dandelion natural rubbers. RSC advances 7: 50739-50752
1
Gumede JI, Carson J, Hlangothi SP, Bolo LL (2020) Effect of single-walled carbon nanotubes on the cure and mechanical properties of reclaimed rubber/natural rubber blends. Mater Today Commun 23: 100852
2
Rubber S (2016) Natural rubber and reclaimed Rubber composites–A Systematic Review. Polym Sci 2: 7
3
Sombatsompop N, Kumnuantip C (2006) Comparison of physical and mechanical properties of NR/carbon black/reclaimed rubber blends vulcanized by conventional thermal and microwave irradiation methods. J Appl Polym Sci 100: 5039- 5048
4
Hassan MM, Mahmoud GA, El-Nahas HH, Hegazy ESA (2007) Reinforced material from reclaimed rubber/natural rubber, using electron beam and thermal treatment. J Appl Polym Sci 104: 2569-2578
5
Sombatsompop N, Kumnuantip C (2003) Rheol ogy, cure characteristics, physical and mechanical properties of tire tread reclaimed rubber/ natural rubber compounds. J Appl Polym Sci 87: 1723-1731
6
Zhao X, Hu H, Zhang D, Zhang Z, Peng S, Sun Y (2019) Curing behaviors, mechanical properties, dynamic mechanical analysis and morphologies of natural rubber vulcanizates containing reclaimed rubber. e-Polymers 19: 482-488
7
Thitithammawong A, Hayichelaeh C, Nakason W, Jehvoh N (2019) The use of reclaimed rubber from waste tires for production of dynamically cured natural rubber/reclaimed rubber/polypropylene blends: Effect of reclaimed rubber loading. J Met Mat Min 29: 98-104
8
Paran S, Naderi G, Ghoreishy M, Heydari A (2018) Enhancement of mechanical, thermal and morphological properties of compatibilized graphene reinforced dynamically vulcanized thermoplastic elastomer vulcanizates based on polyethylene and reclaimed rubber. Compos Sci Technol 161: 57-65
9
Choi D, Kader MA, Cho BH, Huh Yi, Nah C (2005) Vulcanization kinetics of nitrile rubber/ layered clay nanocomposites. J Appl Polym Sci 98: 1688-1696
10
George SC, Rajan R, Aprem AS, Thomas S, Kim SS (2016) The fabrication and properties of natural rubber-clay nanocomposites. Polym Test 51: 165-173
11
Chin KP, Wan NY, Saad CSM (2011) Microcellular rubber: A study on reclaimed natural rubber (NR) latex gloves/standard malaysian rubber (SMR) 20 blends. Pertanika J Sci Technol 19: 171-176
12
Mostoni S, Milana P, Di Credico B, D’Arienzo M, Scotti R (2019) Zinc-based curing activators: new trends for reducing zinc content in rubber vulcanization process. Catalysts 9: 664-686
13
Asif A, Rao VL, Ninan K (2011) Preparation, characterization, thermo-mechanical, and barrier properties of exfoliated thermoplastic toughened epoxy clay ternary nanocomposites. Polym Adv Technol 22: 437-447
14
Dziemidkiewicz A, Maciejewska M, Pingot M (2019) Thermal analysis of halogenated rubber cured with a new cross-linking system. J Therm Anal Calorim 138: 4395-4405
15
Dong B, Zhang L, Wu Y (2017) Influences of different dimensional carbon-based nanofillers on fracture and fatigue resistance of natural rubber composites. Polym Test 63: 281-288
16
Momani B, Sen M, Endoh M, Wang X, Koga T, Winter HH (2016) Temperature dependent intercalation and self–exfoliation of clay/polymer nanocomposite. Polymer 93: 204-212
17
Bokobza L (2019) Natural rubber nanocomposites: a review. Nanomaterials 9: 12-33
18
Ghari HS, Arani AJ, Shakouri Z (2013) Mixing sequence in natural rubber containing organoclay and nano-calcium carbonate ternary hybrid nanocomposites. Rubber Chem Technol 86: 330- 341
19
Roy K, Potiyaraj P (2019) Exploring the comparative effect of silane coupling agents with different functional groups on the cure, mechanical and thermal properties of nano-alumina (Al2O3)- based natural rubber (NR) compounds. Polym Bull 76: 883-902
20
Sarkawi SS, Dierkes WK, Noordermeer JW (2015) Morphology of silica-reinforced natural rubber: The effect of silane coupling agent. Rubber Chem Technol 88: 359-372
21
Nakhaei M, Ahmadi A, Naderi G (2020) Effect of process parameters on tensile strength of welds and modeling of laser welding of PA6/NBR/clay nanocomposite by response surface methodology. Polyolefins J 7: 99-110
22
ORIGINAL_ARTICLE
Kinetic study on liquid propylene polymerization using a modified heat flow reaction calorimeter
Bulk phase polymerization of propylene with a 4th generation of Ziegler-Natta catalyst was kinetically investigated by means of heat flow calorimetry. The assumptions and modifications on isothermal calorimetric method were demonstrated. Our calibration method showed that heat exchange with the reactor cover plate is not constant over time. Therefore, the dynamic of cover plate temperature was considered in the calorimetric method. The polymerization rate profiles depending on hydrogen and external electron donor concentration have been investigated. Normalized polymerization profiles (Rp /Rpmax) are plotted and expressed as an exponential function of time. Effects of hydrogen and external electron donor (ED) concentration on Rpmax and polymerization rate were investigated as well. The results showed that by increasing hydrogen concentration, initial polymerization rate (Rpmax) increased. Hydrogen increased productivity by increasing the initial polymerization rate, while it had no negative effect on the rates of decay or its effect was small. The ED concentration was optimized so that the catalyst deactivation rate was at its lowest level. Also, changes in the ratio of activation to inactivation with ED concentration were examined, and a proportional change was observed.
http://poj.ippi.ac.ir/article_1797_7496f24c5d6ad8783684514b862d7cb8.pdf
2021-07-01
123
133
10.22063/poj.2021.2823.1172
kinetic study
calorimetry
liquid monomer
Propylene
polymerization
Mehrsa
Emami
m.emami@ippi.ac.ir
1
Department of Process and Modeling, Iran Polymer and Petrochemical Institute, P.O. Box 14185/458, Tehran, Iran
LEAD_AUTHOR
Farzin
Hormozi
f.hormozi@ippi.ac.ir
2
Department of Process and Modeling, Iran Polymer and Petrochemical Institute, P.O. Box 14185/458, Tehran, Iran
AUTHOR
Hossein
Abedini
h.abedini@ippi.ac.ir
3
Department of Process and Modeling, Iran Polymer and Petrochemical Institute, P.O. Box 14185/458, Tehran, Iran
AUTHOR
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