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PİRİNÇ KABUK KÜLÜ İLE ENDÜSTRİYEL ATIK SUDAN KADMİYUM İYONUNUN GİDERİLMESİNİN MODELLENMESİNE YÖNELİK BİLGİSAYAR TABANLI BİR YÖNTEM

Year 2023, Volume: 10 Issue: 19, 38 - 53, 30.04.2023
https://doi.org/10.54365/adyumbd.1207543

Abstract

Pirinç kabuğu, yüksek üretim hızı nedeniyle önemli bir atık sorunudur. Adsorpsiyon yöntemi kullanılarak endüstriyel atık sudan tekstil boyalarının ve ağır metallerin uzaklaştırılması, pirinç kabuğunun önemli bir uygulama alanıdır. Endüstriyel atık sulardan ağır metallerin uzaklaştırılması için diğer yöntemlere göre daha uygun maliyetli olmasının yanı sıra, bu amaçla pirinç kabuğunun kullanılması, pirinç kabuğunun depolanma sorununun çözümü için de etkili bir çözüm yöntemi olmuştur. Bu çalışmada Gaussian ® 0.9 yazılımı Cd2+ iyonunun pirinç kabuğundan hazırlanan adsorban yapıya bağlanma sürecini belirlemek ve simüle etmek ve en kararlı yapıyı belirlemek üzere geometri optimizasyonu yapmak üzere kullanıldı. Bu optimize edilmiş yapıların adsorpsiyon enerjileri, Material Studio® 6.1 yazılımı kullanılarak hesaplanmıştır. Elde edilen bulgulara göre pirinç kabuğu, daha pahalı maddeler yerine adsorban olarak kullanılabilir. Deneysel prosedürlerle karşılaştırıldığında, önerilen metodolojinin hem daha hızlı hem de daha ucuz olduğu kanıtlanmıştır.

References

  • https://arastirma.tarimorman.gov.tr/tepge/Belgeler/ (Last Access Date: 19.11.2022).
  • Jittin, V, Bahurudeen, A, Ajinkya, SD. Utilization of rice husk ash for cleaner production of different construction products. J. Cleaner Prod. 2020; 263, 121578.
  • Siddika, A, Al Mamun, MA, Alyousef, R, Mohammadhosseini, H. State-of-the-art-review on rice husk ash: A supplementary cementitious material in concrete. Journal of King Saud University-Engineering Sciences 2021; 33(5):294-307.
  • Zhu, H, Liang, G, Zhang, Z, Wu, Q, Du, J. Partial replacement of metakaolin with thermally treated rice husk ash in metakaolin-based geopolymer. Constr. Build. Mater. 2019; 221:527–538.
  • Katalay, S, Parlak, H. The Effects of Cadmium on Erythrocyte Structure of Black Goby. E.Ü. Su Ürünleri Dergisi 2004; 21 (1-2):99-102.
  • Satoh, M, Koyama, H, Kaji, T, Kito, H, Tohyama, C. Perspectives on Cadmium Toxicity Research. Tohoku J. Exp. Med. 2002; 196: 23-32.
  • El-Sokkary, GH, Abdel-Rahman, GH, Kamel, ES. Melatonin Protects Against Lead-Induced Hepatic and Renal Toxicity in Male Rats. Toxicology 2005; 213 (1 2): 25-33.
  • Öztekin, TB. Deri Sanayi Atık Sularından Krom (VI) İyonunun Adsorpsiyonu. Yüksek Lisans Tezi. Manisa: Celal Bayar Üniversitesi; 2009.
  • Şirin, Y. Yüksek Lisans Tezi. A Computer-Based Approach for Modeling of Removal of Cd2+ Ion from Industrial Wastewater with Polyacrylamide Coated Rice Husk Ash. Gaziantep: Gaziantep Universitesi; 2010.
  • Mahmud, HNME, Huq, AO, binti Yahya, R. The removal of heavy metal ions from wastewater/aqueous solution using polypyrrole-based adsorbents: a review. RSC advances 2016; 6(18): 14778-14791.
  • Pourshakiba, M. Pirinç kabuğu külünden, nano gözenekli kalsiyum silikat üretimi, karakterizasyonu ve ağır metal adsorpsiyonunda kullanımı. Yüksek Lisans Tezi. İstanbul; İstanbul Teknik Üniversitesi: 2012.
  • Moayedi, H, Aghel, B, Nguyen, H, Rashid, ASA. Applications of rice husk ash as green and sustainable biomass. Journal of Cleaner Production 2019; 237: 117851.
  • Priya, AK, Yogeshwaran, V, Rajendran, S, Hoang, TK, Soto-Moscoso, M, Ghfar, AA, Bathula, C. Investigation of mechanism of heavy metals (Cr6+, Pb2+ & Zn2+) adsorption from aqueous medium using rice husk ash: kinetic and thermodynamic approach. Chemosphere 2022; 286: 131796.
  • Javed, K, Mahmood, S, Ammar, M, Abbas, N, Shah, MY, Ahmed, T, Mustafa, G. Rice husk ash adsorbent modified by iron oxide with excellent adsorption capacity for arsenic removal from water. International Journal of Environmental Science and Technology 2022; 1-10.
  • Chanda, R, Hosain, M, Sumi, SA, Sultana, M, Islam, S, & Biswas, BK. Removal of chromium (VI) and lead (II) from aqueous solution using domestic rice husk ash-(RHA-) based zeolite faujasite. Adsorption Science & Technology 2022.
  • Bahrami, M, Amiri, MJ. Nitrate removal from contaminated waters using modified rice husk ash by Hexadecyltrimethylammonium bromide surfactant. Reaction Kinetics, Mechanisms and Catalysis 2022; 135(1): 459-478.
  • Montalvo-Andía, J, Reátegui-Romero, W, Peña-Contreras, AD, Zaldivar Alvarez, WF, King-Santos, ME, Fernández-Guzmán, V, ... & Puris-Naupay, JE. Adsorption of Cd (II) using chemically modified rice husk: characterization, equilibrium, and kinetic studies. Adsorption Science & Technology 2022.
  • Gamboa, VS, Benvenutti, EV, Kinast, ÉJ, Pires, M, Gasparin, FP, & Ries, LADS. Efficient removal of chromium (VI) from dilute aqueous solutions using agro-industrial residue based parboiled rice husk ash. Chemical Engineering Communications 2022; 209(8): 1096-1110.
  • Hossain, N, Nizamuddin, S, & Shah, K. Thermal-chemical modified rice husk-based porous adsorbents for Cu (II), Pb (II), Zn (II), Mn (II) and Fe (III) adsorption. Journal of Water Process Engineering 2022; 46: 102620.
  • Nurandini, D. Investigation of the influence of particle size of rice husk ash as adsorbent for mercury in column adsorption system 2022.
  • Gun, M, Arslan, H, Saleh, M, Yalvac, M, Dizge, N. Optimization of silica extraction from rice husk using response surface methodology and adsorption of safranin dye. International Journal of Environmental Research 2022; 16(2): 1-13.
  • Welagedara, MC, Karunarathne, DGGP, Manipura, A. Synthesis of Zeolites from Rice Husk Ash for Removal of Dyes in Wastewater 2022; 573-585.
  • Metropolis, N, Rosenbluth, AW, Rosenbluth, MN, Teller, AH, Teller, E. Equation of State Calculations by Fast Computing Machines. J. Chem. Phys. 1953; 21: 1087.
  • Newman, MEJ, Barkema, GT. Monte Carlo Methods in Statistical Physics. Oxford: Clarendon Press; 1999.
  • Frenkel, D, Smit, B. Understanding Molecular Simulation: From Algorithms to Applications. 2nd Edition, Academic Press: San Diego; 2002.
  • Kirkpatrick, S, Gelatt, CD, Vecchi, MP. Optimization by Simulated Annealing. Science 1983; 220(4598): 671-680.
  • Eryılmaz, E. Hidrojen İçerikli Bazı Moleküllerin Kimyasal Reaksiyon Süreçlerinin Ab Initio Çalışması. Doktora tezi, Konya; Selçuk Universitesi: 2007.
  • Fletcher, R. Practical Methods of Optimization. New York: John Wiley & Sons; 1980.
  • Natali, M, Attene, M, Ottonello, G. Steepest descent paths on simplicial meshes of arbitrary dimensions. Computers &Graphics 2013; 37:687–696.
  • Hestenes, MR, Stiefel, E. Methods of Conjugate Gradients for Solving Linear System. Journal of Research of the National Bureau of Standards 1952; 49(6): 409-436.
  • Eade, RHA, Robb, MA. Direct minimization in MC SCF theory - the Quasi-Newton method. Chem. Phys. Lett. 1981; 83:362-68.
  • Sharma, N, Kaur, K, Kaur, S. Kinetic and equilibrium studies on the removal of Cd2+ ions from water using polyacrylamide grafted rice (Oryza sativa) husk and (Tectona grandis) saw dust. Journal of Hazardous Materials 2009; 163: 1338-1344.
  • Sharma, N, Singh, J, Goyal, M. Studies on an Economically Viable Treatment Process for Removal of Zn2+ ions from Water using Chemically Modified Rice (Oryza sativa) Husk. In: International Conference on Agricultural, Environment and Biological Sciences (ICAEBS'2012), Phuket, Thailand; 2012.
  • Taty-Costodes, VC, Fauduet, H, Porte, C, Delacroix, A. Removal of Cd(II) and Pb(II) ions from aqueous solutions by adsorption onto sawdust of Pinus sylvestris. J. Hazard. Mater. 2003; 105:121–142.
  • Sharma, N, Kareer, B, Sharma, A. Adsorption study for removal of Zn2+ and Ni2+ ions from aqueous solution using rice (Oryza sativa) husk. J. Environ. Agric. Food Chem. 2007; 6 (8).
  • Çelekli, A, Bozkurt, H. Bio-sorption of cadmium and nickel ions using Spirulina platensis: Kinetic and equilibrium studies. Desalintion 2011; 275: 141-147.
  • Rappié, AK, Casewit, CJ, Colwell, KS, Goddard III, WA, Skid, WM. UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations. J. Am. Chem. SOC. 1992; 114: 10024-10039.
  • Roy, D, Greenlaw, PN, Shane, BS. Adsorption of heavy metals by green algae and ground rice hulls. Journal of Environmental Science & Health Part A 1993; 28(1): 37-50.
  • Munaf, E, Zein, R. The use of rice husk for removal of toxic metals from wastewater. Environmental Technology 1997; 18(3): 359-362.
  • Tarley, CRT, Ferreira, SLC, Arruda, MAZ. Use of modified rice husks as a natural solid adsorbent of trace metals: characterization and development of an online preconcentration system for cadmium and lead determination by FAAS. Microchemical Journal 2004; 77(2): 163-175.

A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH

Year 2023, Volume: 10 Issue: 19, 38 - 53, 30.04.2023
https://doi.org/10.54365/adyumbd.1207543

Abstract

Rice husk is a significant waste issue due to its high manufacturing rate. The removal of heavy metals from industrial wastewater using the adsorption method is one of the significant usage areas of rice husks. In addition to being more cost-effective than other methods for removing heavy metals from industrial wastewater, using rice husks for this purpose would solve the storage problem of the rice husks. In this study, Gaussian® 0.9 software is utilized to describe and simulate the binding process of the Cd2+ ion to the rice husk adsorbent and to perform geometric optimizations to identify the most stable structure. These optimized structures' adsorption energies were computed utilizing the Material Studio® 6.1 software. According to the findings, rice husks can be utilized as an adsorbent in place of more expensive substances. It has been demonstrated that, when compared to experimental procedures, the suggested strategy is both quicker and less expensive.

References

  • https://arastirma.tarimorman.gov.tr/tepge/Belgeler/ (Last Access Date: 19.11.2022).
  • Jittin, V, Bahurudeen, A, Ajinkya, SD. Utilization of rice husk ash for cleaner production of different construction products. J. Cleaner Prod. 2020; 263, 121578.
  • Siddika, A, Al Mamun, MA, Alyousef, R, Mohammadhosseini, H. State-of-the-art-review on rice husk ash: A supplementary cementitious material in concrete. Journal of King Saud University-Engineering Sciences 2021; 33(5):294-307.
  • Zhu, H, Liang, G, Zhang, Z, Wu, Q, Du, J. Partial replacement of metakaolin with thermally treated rice husk ash in metakaolin-based geopolymer. Constr. Build. Mater. 2019; 221:527–538.
  • Katalay, S, Parlak, H. The Effects of Cadmium on Erythrocyte Structure of Black Goby. E.Ü. Su Ürünleri Dergisi 2004; 21 (1-2):99-102.
  • Satoh, M, Koyama, H, Kaji, T, Kito, H, Tohyama, C. Perspectives on Cadmium Toxicity Research. Tohoku J. Exp. Med. 2002; 196: 23-32.
  • El-Sokkary, GH, Abdel-Rahman, GH, Kamel, ES. Melatonin Protects Against Lead-Induced Hepatic and Renal Toxicity in Male Rats. Toxicology 2005; 213 (1 2): 25-33.
  • Öztekin, TB. Deri Sanayi Atık Sularından Krom (VI) İyonunun Adsorpsiyonu. Yüksek Lisans Tezi. Manisa: Celal Bayar Üniversitesi; 2009.
  • Şirin, Y. Yüksek Lisans Tezi. A Computer-Based Approach for Modeling of Removal of Cd2+ Ion from Industrial Wastewater with Polyacrylamide Coated Rice Husk Ash. Gaziantep: Gaziantep Universitesi; 2010.
  • Mahmud, HNME, Huq, AO, binti Yahya, R. The removal of heavy metal ions from wastewater/aqueous solution using polypyrrole-based adsorbents: a review. RSC advances 2016; 6(18): 14778-14791.
  • Pourshakiba, M. Pirinç kabuğu külünden, nano gözenekli kalsiyum silikat üretimi, karakterizasyonu ve ağır metal adsorpsiyonunda kullanımı. Yüksek Lisans Tezi. İstanbul; İstanbul Teknik Üniversitesi: 2012.
  • Moayedi, H, Aghel, B, Nguyen, H, Rashid, ASA. Applications of rice husk ash as green and sustainable biomass. Journal of Cleaner Production 2019; 237: 117851.
  • Priya, AK, Yogeshwaran, V, Rajendran, S, Hoang, TK, Soto-Moscoso, M, Ghfar, AA, Bathula, C. Investigation of mechanism of heavy metals (Cr6+, Pb2+ & Zn2+) adsorption from aqueous medium using rice husk ash: kinetic and thermodynamic approach. Chemosphere 2022; 286: 131796.
  • Javed, K, Mahmood, S, Ammar, M, Abbas, N, Shah, MY, Ahmed, T, Mustafa, G. Rice husk ash adsorbent modified by iron oxide with excellent adsorption capacity for arsenic removal from water. International Journal of Environmental Science and Technology 2022; 1-10.
  • Chanda, R, Hosain, M, Sumi, SA, Sultana, M, Islam, S, & Biswas, BK. Removal of chromium (VI) and lead (II) from aqueous solution using domestic rice husk ash-(RHA-) based zeolite faujasite. Adsorption Science & Technology 2022.
  • Bahrami, M, Amiri, MJ. Nitrate removal from contaminated waters using modified rice husk ash by Hexadecyltrimethylammonium bromide surfactant. Reaction Kinetics, Mechanisms and Catalysis 2022; 135(1): 459-478.
  • Montalvo-Andía, J, Reátegui-Romero, W, Peña-Contreras, AD, Zaldivar Alvarez, WF, King-Santos, ME, Fernández-Guzmán, V, ... & Puris-Naupay, JE. Adsorption of Cd (II) using chemically modified rice husk: characterization, equilibrium, and kinetic studies. Adsorption Science & Technology 2022.
  • Gamboa, VS, Benvenutti, EV, Kinast, ÉJ, Pires, M, Gasparin, FP, & Ries, LADS. Efficient removal of chromium (VI) from dilute aqueous solutions using agro-industrial residue based parboiled rice husk ash. Chemical Engineering Communications 2022; 209(8): 1096-1110.
  • Hossain, N, Nizamuddin, S, & Shah, K. Thermal-chemical modified rice husk-based porous adsorbents for Cu (II), Pb (II), Zn (II), Mn (II) and Fe (III) adsorption. Journal of Water Process Engineering 2022; 46: 102620.
  • Nurandini, D. Investigation of the influence of particle size of rice husk ash as adsorbent for mercury in column adsorption system 2022.
  • Gun, M, Arslan, H, Saleh, M, Yalvac, M, Dizge, N. Optimization of silica extraction from rice husk using response surface methodology and adsorption of safranin dye. International Journal of Environmental Research 2022; 16(2): 1-13.
  • Welagedara, MC, Karunarathne, DGGP, Manipura, A. Synthesis of Zeolites from Rice Husk Ash for Removal of Dyes in Wastewater 2022; 573-585.
  • Metropolis, N, Rosenbluth, AW, Rosenbluth, MN, Teller, AH, Teller, E. Equation of State Calculations by Fast Computing Machines. J. Chem. Phys. 1953; 21: 1087.
  • Newman, MEJ, Barkema, GT. Monte Carlo Methods in Statistical Physics. Oxford: Clarendon Press; 1999.
  • Frenkel, D, Smit, B. Understanding Molecular Simulation: From Algorithms to Applications. 2nd Edition, Academic Press: San Diego; 2002.
  • Kirkpatrick, S, Gelatt, CD, Vecchi, MP. Optimization by Simulated Annealing. Science 1983; 220(4598): 671-680.
  • Eryılmaz, E. Hidrojen İçerikli Bazı Moleküllerin Kimyasal Reaksiyon Süreçlerinin Ab Initio Çalışması. Doktora tezi, Konya; Selçuk Universitesi: 2007.
  • Fletcher, R. Practical Methods of Optimization. New York: John Wiley & Sons; 1980.
  • Natali, M, Attene, M, Ottonello, G. Steepest descent paths on simplicial meshes of arbitrary dimensions. Computers &Graphics 2013; 37:687–696.
  • Hestenes, MR, Stiefel, E. Methods of Conjugate Gradients for Solving Linear System. Journal of Research of the National Bureau of Standards 1952; 49(6): 409-436.
  • Eade, RHA, Robb, MA. Direct minimization in MC SCF theory - the Quasi-Newton method. Chem. Phys. Lett. 1981; 83:362-68.
  • Sharma, N, Kaur, K, Kaur, S. Kinetic and equilibrium studies on the removal of Cd2+ ions from water using polyacrylamide grafted rice (Oryza sativa) husk and (Tectona grandis) saw dust. Journal of Hazardous Materials 2009; 163: 1338-1344.
  • Sharma, N, Singh, J, Goyal, M. Studies on an Economically Viable Treatment Process for Removal of Zn2+ ions from Water using Chemically Modified Rice (Oryza sativa) Husk. In: International Conference on Agricultural, Environment and Biological Sciences (ICAEBS'2012), Phuket, Thailand; 2012.
  • Taty-Costodes, VC, Fauduet, H, Porte, C, Delacroix, A. Removal of Cd(II) and Pb(II) ions from aqueous solutions by adsorption onto sawdust of Pinus sylvestris. J. Hazard. Mater. 2003; 105:121–142.
  • Sharma, N, Kareer, B, Sharma, A. Adsorption study for removal of Zn2+ and Ni2+ ions from aqueous solution using rice (Oryza sativa) husk. J. Environ. Agric. Food Chem. 2007; 6 (8).
  • Çelekli, A, Bozkurt, H. Bio-sorption of cadmium and nickel ions using Spirulina platensis: Kinetic and equilibrium studies. Desalintion 2011; 275: 141-147.
  • Rappié, AK, Casewit, CJ, Colwell, KS, Goddard III, WA, Skid, WM. UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations. J. Am. Chem. SOC. 1992; 114: 10024-10039.
  • Roy, D, Greenlaw, PN, Shane, BS. Adsorption of heavy metals by green algae and ground rice hulls. Journal of Environmental Science & Health Part A 1993; 28(1): 37-50.
  • Munaf, E, Zein, R. The use of rice husk for removal of toxic metals from wastewater. Environmental Technology 1997; 18(3): 359-362.
  • Tarley, CRT, Ferreira, SLC, Arruda, MAZ. Use of modified rice husks as a natural solid adsorbent of trace metals: characterization and development of an online preconcentration system for cadmium and lead determination by FAAS. Microchemical Journal 2004; 77(2): 163-175.
There are 40 citations in total.

Details

Primary Language English
Subjects Engineering
Journal Section Makaleler
Authors

Yasemin Şirin Eryoldaş 0000-0002-7212-9108

Faruk Geyik This is me 0000-0002-2355-0529

Tugba Taskın Tok 0000-0002-0064-8400

Publication Date April 30, 2023
Submission Date November 20, 2022
Published in Issue Year 2023 Volume: 10 Issue: 19

Cite

APA Şirin Eryoldaş, Y., Geyik, F., & Taskın Tok, T. (2023). A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi, 10(19), 38-53. https://doi.org/10.54365/adyumbd.1207543
AMA Şirin Eryoldaş Y, Geyik F, Taskın Tok T. A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi. April 2023;10(19):38-53. doi:10.54365/adyumbd.1207543
Chicago Şirin Eryoldaş, Yasemin, Faruk Geyik, and Tugba Taskın Tok. “A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH”. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi 10, no. 19 (April 2023): 38-53. https://doi.org/10.54365/adyumbd.1207543.
EndNote Şirin Eryoldaş Y, Geyik F, Taskın Tok T (April 1, 2023) A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi 10 19 38–53.
IEEE Y. Şirin Eryoldaş, F. Geyik, and T. Taskın Tok, “A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH”, Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi, vol. 10, no. 19, pp. 38–53, 2023, doi: 10.54365/adyumbd.1207543.
ISNAD Şirin Eryoldaş, Yasemin et al. “A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH”. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi 10/19 (April 2023), 38-53. https://doi.org/10.54365/adyumbd.1207543.
JAMA Şirin Eryoldaş Y, Geyik F, Taskın Tok T. A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi. 2023;10:38–53.
MLA Şirin Eryoldaş, Yasemin et al. “A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH”. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi, vol. 10, no. 19, 2023, pp. 38-53, doi:10.54365/adyumbd.1207543.
Vancouver Şirin Eryoldaş Y, Geyik F, Taskın Tok T. A COMPUTER-BASED METHODOLOGY FOR MODELING THE REMOVAL OF CADMIUM ION FROM INDUSTRIAL WASTEWATER WITH RICE HUSK ASH. Adıyaman Üniversitesi Mühendislik Bilimleri Dergisi. 2023;10(19):38-53.