Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Natural gas emission incidents simulation and calculation of vent in distribution networks (Case study: Fars Gas Company)
1
12
EN
Amir
Safavian
Department of Chemical Engineering,Marvdasht Branch , Islamic Azad University,Marvdasht , Iran
amr.safavian@gmail.com
zahra
Arab Aboosadi
Department of Chemical Engineering, Marvdasht branch, Islamic Azad University, Marvdasht, Iran
aboosadi@miau.ac.ir
Bizhan
Honarvar
Department of Chemical Engineering, Marvdasht branch, Islamic Azad University, Marvdasht, Iran
honarvar@miau.ac.ir
10.33945/SAMI/ECC.2020.1.1
The objective of this paper is the numerical simulation of accident consequences of natural gas release. Failure of the pipeline can lead to various outcomes, some of which can pose a significant threat of irretrievable damage to people and properties in the immediate vicinity of the failure location. To make the solution and results more similar to actual scenario, Gas Leakage Rate from Pipeline Fracture is investigated in the steady state flow (hole and Pipeline models) and transient flow modes are examined. The numerical results show that if the pressure at the fracture point is equal to the atmospheric pressure, the Mach number is smaller than one. In the pipe model, if the length of the pipe is long and the pressure difference between the inside and outside of the pipe is high, then the Mach number tends to one and the gas leak rate to the sound speed. The fugitive emission from all instruments was measured using Hi-Flow Sampler and the emission from accidents was calculated using PHAST software.
Distribution Networks,gas leakage,numerical simulation,pipeline fracture,vent emission,wind speed
https://www.echemcom.com/article_96608.html
https://www.echemcom.com/article_96608_041c7c6fd9bcab745b93a83731940e9a.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Improvement in gas migration reduction in oil wells by using nanoparticles: an experimental investigation
13
26
EN
Mahmoud
Bayanak
Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran
m_bayanak2003@yahoo.com
Soroush
ZARINABADI
Department of Engineering, Ahvaz Branch, Islamic Azad University, Ahvaz, Iran
soroushzarinabadi@iauahvaz.ac.ir
Khalil
Shahbazi
Petroleum Engineering Department, Ahvaz Faculty of Petroleum Engineering, Petroleum University of Technology (PUT), Ahvaz, Iran
shahbazi@put.ac.ir
Alireza
Azimi
Department of Chemical engineering Mahshahr Branch, Islamic Azad University, Mahshahr, Iran
aireza_azimi550@yahoo.com
10.33945/SAMI/ECC.2020.1.2
In recent years, improving the quality and modification of the composition of cement slurry in order to reduce the fluid migration behind the well casings is one of the most important challenges for researchers and oil and gas well drilling industries. It has been demonstrated that nanoparticles have made some progresses in the operational characteristics of conventional cement. Various technologies have been developed to solve gas migration where is an important task to design a cement slurry that do not let the hydrocarbon fluid migrate from the cement after its hydration. This research, via 13 experimental attempts, showed that great improvement in compressive strength and rheological properties of cement slurry appears after addition of silicon dioxide nanomaterial to the slurry, on the other hand it did not make any significant change in free water content of the cement and fluid loss. In the case of static gel strength analyzers (SGSA) test, transient time followed a decrementing pattern by increasing nanoparticle. As a result, it met the vital goal in drilling industry via deep reduction in gas migration rate and solves the foregoing problem without having any negative effects on the other properties of cement slurry such as thickening time. Moreover, Mohr circles analysis demonstrated that higher compressive strengths are achieved by adding nanoparticles, especially in the absence of anti-gas migration additive.
Cement design,cement slurry,gas migration,Rheology,Nanoparticles
https://www.echemcom.com/article_96607.html
https://www.echemcom.com/article_96607_25ccc145ef5e86d7d3b32358e53b5b89.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Programming of Fe-catalyzed cascade Knoevenagel-Michael-cyclocondensation reaction: create out pseudo acridine derivatives under solvent free conditions
27
34
EN
Ardeshir
Khazaei
Bu-Ali Sina University- Hamedan- Iran
Ahmad Reza
Moosavi-Zare
Department of Chemistry, University of Sayyed Jamaleddin Asadabadi,
Asadabad, 6541835583, Iran
Hadis
Afshar-Hezarkhani
Department of Chemistry, Sayyed Jamaleddin Asadabadi University, Asadabad, 6541835583, Iran
Vahid
Khakyzadeh
department of chemistry, University of Freiburg, Germany
10.33945/SAMI/ECC.2020.1.3
Nano-ferrous ferric oxide (nano-Fe3O4) successfully applied as an efficient and heterogeneous catalyst for the synthesis of 1,8-dioxo-decahydroacridines by the condensation reaction of dimedone with aromatic aldehydes and ammonium acetate or aniline derivatives under mild and solvent-free conditions. Also, optimization of the reaction condition was investigated using the response surface method {Central Composite Design (CCD)} compared to empirical research.
Nano-Fe3O4,Cascade reaction,1,8-dioxo-decahydroacridine,Heterogeneous catalyst
https://www.echemcom.com/article_96658.html
https://www.echemcom.com/article_96658_7ee951bbb56b4ffb82f4ae182d272ec9.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Voltammetric determination of zolpidem by using glassy carbon electrode modified with Ag/ZnO nanoplates
35
43
EN
Mohammad Reza
Aflatoonian
Research Center for Tropical and Infectious Diseases, Kerman University of Medical Sciences,
Kerman, Iran
Behnaz
Aflatoonian
Neuroscience Research Center, Kerman University of Medical Sciences, Kerman, Iran
Reza
Alizadeh
Department of Chemistry, Faculty of Science, Qom University, Qom, Iran
Reza
Abbasi Rayeni
Kerman University of Medical Sciences, Kerman, Iran
10.33945/SAMI/ECC.2020.1.4
Zolpidem is an imidazopyridine derivative, non-benzodiazepine and sedative-hypnotic medicine. It is a widely prescribed medication in adults for the short-term treatment of a sleep problem called insomnia and frequent awakenings. In this paper, the zolpidem was determined directly using Ag/ZnO nanoplates modified glassy carbon electrode (Ag-ZnO/GCE). The electrochemical behavior of zolpidem was investigated by differential pulse voltammetry (DPV), chronoamperometry (CHA) and cyclic voltammetry (CV), using Ag-ZnO/GCE. The results showed that the current responses of zolpidem improved significantly because of the high catalytic activity and electron transfer reaction of nanoplates. The linear range of zolpidem was from 0.1 to 500.0 µM with the detection limit of 0.03 µM. In addition, this original sensor possesses numerous benefits such as reproducibility, high stability and rapid response (20 s).
Zolpidem,Voltammetric determination,glassy carbon electrode,Ag/ZnO nanoplates
https://www.echemcom.com/article_96655.html
https://www.echemcom.com/article_96655_8f2d84acc538b0a6a890950193ab76a4.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
H2O2 as a green and environmentally benign reagent for the oxidation of Sulfides in the presence of {[K.18-Crown-6]X3}n (X= Br, I) compared with some other organic tribromides
44
50
EN
Mohsen
Rasooli
Department of Chemistry, Yazd Branch, Islamic Azad University, Yazd, Iran
Mohammad Ali
Zolfigol
faculty of chemistry, bu-ali sina university, hamedan, iran
Mohammad Ali
Moslemin
Department of Chemistry, Yazd Branch, Islamic Azad University, Yazd, Iran
Razieh
Mohebat
Department of Chemistry, Yazd Branch, Islamic Azad University, Yazd, Iran
Gholamabbas
Chehardoli
Department of Medicinal Chemistry, School of Pharmacy, Hamedan University of Medical Sciences
10.33945/SAMI/ECC.2020.1.5
In the presence of {[K.18-Crown-6]X3}n (X= Br, I)-as interesting trihalide reagents, organic sulfides were oxidized to their corresponding sulfoxides using H2O2 as a green reagent. Via in situ generation of HOX, {[K.18-Crown-6]X3}n activates H2O2 and variously substituted sulfides were selectively transformed into the corresponding sulfoxides. We compared the obtained results of {[K.18-Crown-6]X3}n with some other organic tribromides. Unexpectedly, in most cases, the results were similar.
H2O2,{K.18-Crown-6]Br3}n,{K.18-Crown-6]I3}n,oxidation,Sulfides,Sulfoxides
https://www.echemcom.com/article_96611.html
https://www.echemcom.com/article_96611_88488e66304cc31e73fb03b2b4a83101.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Hyaluronic acid hydrogel nanoscaffolds: production and assessment of the physicochemical properties
51
58
EN
Elham
Ahmadian
Dental and Periodontal Research Center, Tabriz University of Medical Sciences, Tabriz, Iran
Solmaz
Maleki
Dental and Periodontal Research Center, Tabriz University of Medical Sciences, Tabriz
Simin
Sharifi
Dental and Periodontal Research Center, Tabriz University of Medical Sciences, Tabriz
Aziz
Eftekhari
Pharmacology and Toxicology Department, Maragheh University of Medical Sciences
Mohammad
Samiei
Faculty of Dentistry, Tabriz University of Medical Sciences, Tabriz
10.33945/SAMI/ECC.2020.1.6
Hyaluronic acid (HA) is the major constituent of the extracellular matrix (ECM) and mainly acts as a filler in the connective tissues. The goal of the current study was to develop and evaluate the physiochemical properties of HA hydrogel nanoscaffolds. Chemical precipitation technique and the use of glutaraldehyde-based crosslinking were utilized to prepare the nanoscaffolds. Dynamic light scattering (DLS), zeta sizer (measurement of zeta potential), scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR) were performed to characterize the produced HA hydrogel nanoscaffolds. A relatively bimodal and monodispersed HA nanohydrogels were obtained and the mean particle size was reported to be 291.30 nm. In addition, the results showed that zeta potential had a negative value (-5.96 mv). The FTIR results proved the crosslinking of the constructed scaffold. The observed physiochemical specifications proposed that HA hydrogel nanoscaffolds could hold promise in different biomedical implementations in particular, tissue regeneration.
Hyaluronic acid,Hydrogel,nanoscafold,Characterization
https://www.echemcom.com/article_96612.html
https://www.echemcom.com/article_96612_46cef70f23bed04548b2fcecb87523ce.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Synthesis and characterization of nano α-Fe2O3/Mn2P2O7 for photocatalytic decomposition of p-xylene: using Box-Behnken design
59
77
EN
Sajjad
Mafi
Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
Kazem
Mahanpoor
Department of chemistry, Arak Branch, Islamic Azad University,Arak, Iran
10.33945/SAMI/ECC.2020.1.7
α-Fe2O3/Mn2P2O7 photocatalyst was synthesized by forced hydrolysis and reflux condensation (FHRC) method. In order to fully evaluate of the structure, chemical composition and morphology of synthesized composite, various analyses such as XRD, FT-IR, BET, EDX, SEM were applied. In this research, para-xylene was selected as the model substance for photocatalytic reactions to evaluate catalytic ability. To investigate the effect of parameters and selecting the optimum condition for the understudied process, Box Behnken Design (BBD) due to the Response Surface Methodology (RSM) was performed. For this purpose, catalyst concentration, hydrogen peroxide concentration, initial p-Xylene concentration and, pH was selected as important and effective variables. Results showed that the optimized degradation efficiency was close to 96.68% within 90 min. Based on the results, it was found that the initial concentration of p-Xylene had the greatest effect on the removal of contamination. Moreover, it was determined that the photocatalytic efficiency of the synthesized composite is more favorable than the non-supported α-Fe2O3.
photocatalyst,FHRC,Mn2P2O7,p-Xylene,Box Behnken design
https://www.echemcom.com/article_96613.html
https://www.echemcom.com/article_96613_3e896754f6e01ae0dfc916383bd4846f.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
A computational investigation on the stability and properties of the various isomers of [B7]- anion
78
86
EN
Karim
Hajhoseinzadeh
Department of chemistry, Faculty of science, Arak Branch, Islamic Azad University, Arak, Iran
Reza
Ghiasi
Department of Chemistry, Faculty of science, East Tehran branch, Islamic Azad university, Qiam Dasht, Tehran, Iran
Azam
Marjani
Department of chemistry, Faculty of science, Arak Branch, Islamic Azad University, Arak, Iran
10.33945/SAMI/ECC.2020.1.8
In the present study, the stability of seven and six-membered isomers of B7- anion were considered in the triplet and singlet states at the M062X/6-311+G(d,p) level of the theory. The frontier orbital energy and HOMO-LUMO gaps of these isomers were calculated. A vibrational analysis performed at each stationary point was confirmed as a minimum energy. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) analyses were employed for illustration of the B-B bonds in the most stable isomer of B7- anion. Aromaticity of this structure was studied in terms of the calculated nucleus independent chemical shift (NICS) values.
B7- anion,Nucleus independent chemical shift (NICS),quantum theory of atoms in molecules (QTAIM),natural bond analysis (NBO)
https://www.echemcom.com/article_96614.html
https://www.echemcom.com/article_96614_b48c5d651fd7881ef346e264b3d467f7.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Bio-fabrication of silver nanoparticles using naturally available wild herbaceous plant and its antibacterial activity
87
102
EN
Seyed Saeid
Mohammadi
Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
Nahid
Ghasemi
Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
Majid
Ramezani
Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
10.33945/SAMI/ECC.2020.1.10
The irrational use of antibiotics has caused an increment in bacterial resistance to these compounds, leading humans to go in quest of alternative effective antimicrobial factors with less side effects as compared to antimicrobial compounds with less unwanted side effects. Silver Nanoparticles (AgNPs) could be considered as one of the most important antibacterial agents. In this study, the aqueous extract of Fumaria officinalis leaf was prepared and used in optimal conditions(pH=10, extract volume=8, metal salt concentration=10 mM, temperature 100 °C and time=120 min) for reduction of silver ions and synthesis of AgNPs. The resulted AgNPs were characterized by different techniques including UV-Vis, and XRD, FESEM, TEM, EDX and FTIR, respectively. Finally, the antibacterial activity of AgNPs on two pathogens (Escherichia coli (PTTC 1707), and Staphylococcus aureus (PTTC 1112)), was investigated using agar disk diffusion and minimum inhibitory concentration (MIC) test. The extract of Fumaria officinalis displayed high potential to synthesize of stable spherical AgNPs in shape with size below 25 nm. The nanoparticles showed considerable antibacterial effect on two tested bacteria. The minimum inhibitory concentration on Escherichia coli and Staphylococcus aureus for AgNPs was 12.5 and 6.25 μg / ml, respectively.
Fumaria officinalis,XRD,TEM,Silver nanoparticles,antibacterial
https://www.echemcom.com/article_96615.html
https://www.echemcom.com/article_96615_7dfbaff2fa0a7042837c87f0d10ca079.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Simulation and calculation of power plant accidents doses using HotSpot software
103
108
EN
Ali
Ghanbari
Research Center of Physiology, Semnan University of Medical Sciences, Semnan, Iran
Nasrollah
Moradi-kor
Research Center of Physiology, Semnan University of Medical Sciences, Semnan, Iran
Hadi
Taleshi Ahangari
Department of Medical Physics, Faculty of Medicine, Semnan University of Medical Sciences, Semnan, Iran
10.33945/SAMI/ECC.2020.1.9
Various factors affect the release of radioactive materials in the power plant events including event types, wind speed, air temperature, and so on. In this study, a new model was developed using HotSpot software for calculating doses at different intervals from the site of the incident, and then, this model was simulated and validated using the MCNPX simulator code. Moreover, effective intervals of the dose caused by each radioisotope were measured. The results showed that calculations for determination of doses at different intervals can be obtained using simulation, and as a result, components and other parameters such as buildings or facilities can be added to the simulator and doses were calculated in those cases.
HotSpot software,MCNPX,nuclear power plant accidents,Effective Radius
https://www.echemcom.com/article_96616.html
https://www.echemcom.com/article_96616_97689007fb202f6e5d83fb6a0ac2b5b3.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Studying the interaction of calcium, potassium and sodium ions with 3 isomers of Docetaxel drug and the effect of these ions on physicochemical and thermodynamical properties: A DFT computation
109
121
EN
Ashraf Sadat
Ghasemi
Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran
Effat
Mamashli
Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran
10.33945/SAMI/ECC.2020.1.11
In this study, the interaction of Ca2+, K+ and Na+ ions along with 3 isomers of Docetaxel drug and its physical and thermodynamical properties have computed and investigated using DFT method. These calculation based on B3LYP quantum chemical level and at 6-311G** basis orbital set. The proximity of ions has studied in order to determine physical, thermodynamical properties. DOS graphs have plotted to obtain some quantum chemical data. The obtained results show that these metallic cations tend staying in the suitable spatial situations to diminish their own density of electrical charge. When one of the ions approached the drug, the orbitals change in terms of shape and energy, and will fit to the new situation. Accordingly the effect of these ions on physical and quantum chemical properties have been investigated as well.
Docetaxel isomers,DOS plots,spatial situation,intracellular,Extracellular
https://www.echemcom.com/article_96617.html
https://www.echemcom.com/article_96617_9b43905a11926725c99864b6161c3d7f.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Preparation and study of starch/ collagen/ polycaprolactone nanofiber scaffolds for bone tissue engineering using electrospinning technique
122
127
EN
Mohammad Ali
Ghavimi
Faculty of Dentistry, Tabriz University of Medical Sciences, Tabriz, Iran
Ramin
Negahdari
Faculty of Dentistry, Tabriz University of Medical Sciences, Tabriz, Iran
Amirhossein
Bani Shahabadi
Faculty of Dentistry, Tabriz University of Medical Sciences, Tabriz, Iran
Simin
Sharifi
Dental and Periodontal Research Center, Tabriz University of Medical Sciences, Tabriz
Ezatolah
Kazeminejad
Dental Research Center, Golestan University of Medical Sciences, Gorgan, Iran
Shahriar
Shahi
Dental and Periodontal Research Center, Tabriz University of Medical Sciences, Tabriz, Iran
Solmaz
Maleki Dizaj
Dental and periodontal research center, Tabriz university of medical sciences
10.33945/SAMI/ECC.2020.1.12
Bone tissue engineering has been a fast growing area recently. It suggests a novel and talented methods for bone regeneration. The aim of the current work is to produce nanofiber scaffolds based on starch/ collagen/ polycaprolactone (PCL) biomaterials by means of an electrospinning methodology for bone tissue engineering purposes. The results showed that the developed structures have good physicochemical and interconnected properties that could be considered for bone tissues engineering. The results from the characterization specify that the nanofibers were successfully prepared with monodispersed nanosized diameter (60 nm), uniform network shaped morphology and negative surface charge (-13.5 mV). Besides, the applied method can be set up to prepare fiber-based structures using other polymeric materials. We believed that by incorporating different materials to reduce the degradation rate of the fibers it can be matched with the speed of tissue regeneration. In this case, the prepared nanofibers can be used as the membrane biomaterials for example guided bone regeneration (GBR) membrane.
Bone tissue engineering,Nanofiber,Electrospinning,Guided bone regeneration
https://www.echemcom.com/article_96620.html
https://www.echemcom.com/article_96620_176b213f04654a96e010738bb7fdebc7.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
2,2-Hydroxyphenylbenzoxazole as a selective chelating agent for complexation with Tin and Zinc: a voltammetry study
128
137
EN
Shahryar
Abbasi
Ilam University
abosina2000@yahoo.com
Somayeh
Hamdeghadareh
Ilam University
Loghman
Rezaei
Hamadan University of Medical Sciences, Hamadan, Iran
Abbas
Farmany
Hamadan University of Medicinal Sciences, Hamadan, Iran
10.33945/SAMI/ECC.2020.1.13
A highly selective and sensitive adsorptive stripping procedure for simultaneous determination of trace tin and zinc is presented. The method is based on adsorptive accumulation of the complexes of Sn (II) and Zn (II) ions with 2, 2-hydroxyphenylbenzoxazole (HBO) onto a hanging mercury drop electrode, followed by the reduction of the adsorbed species by differential pulse cathodic stripping voltammetry. The optimal experimental conditions include the use of 0.1 M acetate buffer (pH 5.0), 2.0×10-5 M HBO, an accumulation potential of -0.35 V (versus Ag/AgCl), an accumulation time of 90 s and a scan rate of 100 mV/s. Under optimised conditions, linear calibration curves were established for the concentration of Sn(II) and Zn(II) in the range of 0.2 -100 µg/L and 0.1- 120 µg/L, respectively, while the detection limit is 0.009 µg/L for tin and 0.01µg/L for zinc for a 90 s adsorption time. The method was applied to the determination of tin and zinc in biological samples with satisfactory results.
2,2-Hydroxyphenylbenzoxazole,tin,zinc,Voltammetry
https://www.echemcom.com/article_96621.html
https://www.echemcom.com/article_96621_c61823e4cc9c7de9866e92f08b9691a9.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Studying physicochemical characteristics of Flutamide adsorption on the Zn doped SWCNT (5,5), using DFT and MO calculations
138
149
EN
Ashraf Sadat
Ghasemi
Payamnoor University of Ramsar
Fereydoun
Ashrafi
Payame Noor University, Faculty of sciences, P.O. box 19395-3697, Tehran, Iran
Taj Mohammad
Tavasoli
Payame Noor University, Dept of chemistry
Masoumeh
Hoosini
Payame Noor University, Dept. of Chemistry, P.O.Box,19395-3697, Tehran, Iran
Mohammad
Norouzi
Payame Noor University
Matin
Karimnia
Ruhr University of Bochum
Ali
Sadeghi
Departments of Chemistry, Dameghan University, Dameghan, Iran
10.33945/SAMI/ECC.2020.1.14
In this study, the adsorption of Flutamide (FLT) anticancer drug on the Zn doped single-walled carbon nanotube (5, 5) (SWCNT-Zn (5, 5)) has been investigated. This study has been performed in the gaseous phase and in water and ethanol solvents phases, in the basis and excited states, using density functional theory (DFT) and molecular orbitals (MO) calculation methods. DFT calculations performed at B3LYP quantum chemical level abs at 6-311G (d, p) basis set. Firstly, the structure of FLT was optimized at B3LYP/6-311G (d,p) theoretical level. The obtained results clearly demonstrate the energy stability of the optimized geometries and obviously show that the nature of Flutamide adsorption energy on the surface of SWCNT is in the range of the physisorption. Afterwards, the various structures of SWCNT (5, 5) and the adsorption of FLT on the outer surface of SWCNT (5, 5) was investigated using DFT method. The energies of FLT, SWCNT (5, 5), Zn doped SWCNT (5, 5), HOMO and LUMO orbitals, gap energy and dipole moments were calculated using DFT and MO methods.
Flutamide (FLT),SWCNT,DFT method,MO method,physisorption
https://www.echemcom.com/article_96619.html
https://www.echemcom.com/article_96619_f4cebe083de8a1a14a5950bdbf405de2.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2
1
2020
01
01
Optimization of the naphtha hydro treating unit (NHT) in order to increase feed in the refinery
150
161
EN
Amir
Samimi
0000-0001-7270-2261
Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran
amirsamimi1161@gmail.com
Soroush
Zarinabadi
Department of Engineering, Ahvaz Branch, Islamic Azad University, Ahvaz, Iran
soroushzarinabadi@iauahvaz.ac.ir
Amir Hossein
Shahbazi Kootenai
Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran
kootena@gmail.com
Alireza
Azimi
Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran
a.azimi@mhriau.ac.ir
Masoumeh
Mirzaei
Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran
m.mirzaei@mhriau.ac.ir
10.33945/SAMI/ECC.2020.1.15
Increasing the capacity of this unit will cause problems such as the increase of pressure downfall, the reduction of output pressure of circulating gas compressor, the increase of the eventuality of coke formation on the catalyst, increasing the thermal load of the re-boiler furnaces of unit towers and eventually reducing the catalyst life span. In this research, operating conditions have been investigated that are indicating the increase the refinery feed with the design capacity of 50,000 barrels per day, to the amount of 55,000 barrels per day. The results indicate that with increasing feed, should be increased the entrance temperature to the unit reactor. At the same time, the temperature increase caused the increasing of coke formation on the catalyst and rising the difference of entrance and output pressure of the reactor. Also, the thermal load of the furnaces of Stripper and Splitter towers increased. In this paper, with the modeling of the catalyst inactivation at the sightly temperature, as well as the troubleshooting of the system afterward, with regards to all the above conditions, it is proved that increasing the feed is an acceptable action according to the resulting profit from the sale of the products.
Reactor,Coke,stripper,Modeling,Splitter,Catalyst
https://www.echemcom.com/article_96609.html
https://www.echemcom.com/article_96609_8b2fc5fee56526741cf17e7b663065df.pdf