Adsorptions of small amide molecules, acetamide (AA) and N-methyl-acetamide (NMA) on the surface of kaolinite are investigated in this study. The focus is on the basis set effects towards the stabilities and the interaction energies of the molecules on the Al–O surface. With a fixed B3LYP functional, we increased the size of the basis sets for the single-point calculations, to find the converged interaction energies and obtain the relative stabilities. We found that, under the direct usage of Pople-type and Dunning’s correlation consistent basis sets, it is not possible to achieve the pattern of convergence for the interaction energies and the relative stabilities. Compared to the complete basis set (CBS) extrapolation scheme, the double zeta basis sets deviated the most, in the range of 21 to 27%, while it is from 1 to 7% for the triple zeta basis sets. Based on the results, we suggest using 6-311++G(2df,2pd) or cc-pVQZ for energy-related quantities. Compared to AA, NMA attached more strongly by 0.5 eV on the surface of Al–O.
{"title":"Basis Set Effects on the Stabilities and Interaction Energies of Small Amide Molecules Adsorbed on Kaolinite Surface","authors":"Najwa-Alyani Mohd Nabil, L. Ang, S. Sulaiman","doi":"10.22146/ijc.79795","DOIUrl":"https://doi.org/10.22146/ijc.79795","url":null,"abstract":"Adsorptions of small amide molecules, acetamide (AA) and N-methyl-acetamide (NMA) on the surface of kaolinite are investigated in this study. The focus is on the basis set effects towards the stabilities and the interaction energies of the molecules on the Al–O surface. With a fixed B3LYP functional, we increased the size of the basis sets for the single-point calculations, to find the converged interaction energies and obtain the relative stabilities. We found that, under the direct usage of Pople-type and Dunning’s correlation consistent basis sets, it is not possible to achieve the pattern of convergence for the interaction energies and the relative stabilities. Compared to the complete basis set (CBS) extrapolation scheme, the double zeta basis sets deviated the most, in the range of 21 to 27%, while it is from 1 to 7% for the triple zeta basis sets. Based on the results, we suggest using 6-311++G(2df,2pd) or cc-pVQZ for energy-related quantities. Compared to AA, NMA attached more strongly by 0.5 eV on the surface of Al–O.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44699630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
F. Nitti, Wendelina Archangela Ati, P. De Rozari, P. D. Ola, David Tambaru, Luther Kadang
The development of a simple yet greener microfluidic paper-based analytical device (μ-PAD) for on-site detection of Mn(II) in various types of waters using tannin as a natural reagent was described. The μ-PAD consists of twelve detection zones, created on a Whatman Number 1 filter paper by a simple drawing technique using an acrylic watercolor. The detection of Mn(II) was based on the color change on the reaction zone due to the reaction between Mn(II) and the pre-deposited tannin. The μ-PAD image was captured by a portable smartphone detector, and the blue intensity was digitized using a color picker application to generate the reflectance as the analytical response. The proposed method was characterized by a linear dynamic range of 0.05–0.25 mg L−1 with the limit of detection (LOD) for the determination of Mn(II) of 0.026 mg L−1. The other analytical merits of the proposed method, such as precision (RSD, 1.107%), accuracy (E, 6.697%), and recovery (104–112%), were all comparable to the existing spectrophotometric methods. The method’s successful application to natural water samples from manganese mining sites aligns with the reference spectrophotometric method, indicating its good selectivity and accuracy without significant influence of commonly associated interfering ions.
{"title":"Simple Microfluidic Paper-Based Analytical Device (μ-PAD) Coupled with Smartphone for Mn(II) Detection Using Tannin as a Green Reagent","authors":"F. Nitti, Wendelina Archangela Ati, P. De Rozari, P. D. Ola, David Tambaru, Luther Kadang","doi":"10.22146/ijc.82511","DOIUrl":"https://doi.org/10.22146/ijc.82511","url":null,"abstract":"The development of a simple yet greener microfluidic paper-based analytical device (μ-PAD) for on-site detection of Mn(II) in various types of waters using tannin as a natural reagent was described. The μ-PAD consists of twelve detection zones, created on a Whatman Number 1 filter paper by a simple drawing technique using an acrylic watercolor. The detection of Mn(II) was based on the color change on the reaction zone due to the reaction between Mn(II) and the pre-deposited tannin. The μ-PAD image was captured by a portable smartphone detector, and the blue intensity was digitized using a color picker application to generate the reflectance as the analytical response. The proposed method was characterized by a linear dynamic range of 0.05–0.25 mg L−1 with the limit of detection (LOD) for the determination of Mn(II) of 0.026 mg L−1. The other analytical merits of the proposed method, such as precision (RSD, 1.107%), accuracy (E, 6.697%), and recovery (104–112%), were all comparable to the existing spectrophotometric methods. The method’s successful application to natural water samples from manganese mining sites aligns with the reference spectrophotometric method, indicating its good selectivity and accuracy without significant influence of commonly associated interfering ions.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44848558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Ilmiawati, Melinia Falestin, A. Maddu, L. Irfana, P. Sugita, B. Arifin
Sansevieria trifasciata (mother-in-law's tongue), an ornamental plant widely found in Indonesia, can absorb electromagnetic radiation in various electronic devices. This study aims to find the best S. trifasciata extract as an electromagnetic and thermal radiation reducer emitted from a smartphone. S. trifasciata leaves were macerated using ethanol, acetone, and dichloromethane. The extract was mixed with PVA as a film and tested for electromagnetic radiation using a radiation measuring device type GM-3120. Thermal radiation was tested using a temperature sensor (PASCO CI-6505B) connected to a PASCO 550 Universal Interface. All smartphone protective films decreased radiation from the smartphone, and the acetone extract caused the most significant radiation decrease, with the best results at a concentration of 5%. An S. trifasciata extract contained alkaloids, saponins, steroids, phenolics, and tannins based on the phytochemical tests. Based on LC-MS data, the dominant compounds identified from the three extracts of S. trifasciata is a group of alkaloids, fatty acid, and steroid. The functional groups that are thought to play a role in reducing radiation are the C-O, C=O, and C-OH functional groups. A compound that is thought to contribute to the reduction in radiation is neuroscogenin, a steroid group.
{"title":"Films from PVA and Sansevieria trifasciata Leaves Extracts as a Smartphone Protector with Radiation Reducing Property and Its LC-MS Analysis","authors":"A. Ilmiawati, Melinia Falestin, A. Maddu, L. Irfana, P. Sugita, B. Arifin","doi":"10.22146/ijc.76809","DOIUrl":"https://doi.org/10.22146/ijc.76809","url":null,"abstract":"Sansevieria trifasciata (mother-in-law's tongue), an ornamental plant widely found in Indonesia, can absorb electromagnetic radiation in various electronic devices. This study aims to find the best S. trifasciata extract as an electromagnetic and thermal radiation reducer emitted from a smartphone. S. trifasciata leaves were macerated using ethanol, acetone, and dichloromethane. The extract was mixed with PVA as a film and tested for electromagnetic radiation using a radiation measuring device type GM-3120. Thermal radiation was tested using a temperature sensor (PASCO CI-6505B) connected to a PASCO 550 Universal Interface. All smartphone protective films decreased radiation from the smartphone, and the acetone extract caused the most significant radiation decrease, with the best results at a concentration of 5%. An S. trifasciata extract contained alkaloids, saponins, steroids, phenolics, and tannins based on the phytochemical tests. Based on LC-MS data, the dominant compounds identified from the three extracts of S. trifasciata is a group of alkaloids, fatty acid, and steroid. The functional groups that are thought to play a role in reducing radiation are the C-O, C=O, and C-OH functional groups. A compound that is thought to contribute to the reduction in radiation is neuroscogenin, a steroid group.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68322967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Norhayati Hahsim, Z. Muda, Illyas Md Isa, Norlaili Abu Bakar, Wan Rusmawati Wan Mahamod, N. Mohd Ali, Sharifah Norain Mohd Sharif, Maizatul Najwa Jajuli, Syazwan Afif Mohd Zobir, S. Suyanta
Zinc Layered hydroxide (ZLH) is a layered material easily synthesized with a structure identical to brucite-like material. Due to the exchangeable anions in the interlayer compensating for the positive charge of a brucite-type layer, ZLH provides a wide application in many fields. This review focuses on the properties and method of synthesis of ZLH by giving an overview of intercalated guest anion in the interlayer of ZLH. The further discussion involved the application of intercalated guest anion in zinc layered hydroxide layer and its properties as a sensitizer, controlled release biomedical, and agriculture to provide the scientific community for research and development by giving current findings. This brief review also presents the success of anion intercalation for controlled release along with the kinetic model involved, which increases the bioavailability and effectiveness of the nanocomposite on its target. It shows the development of research on ZLH nanocomposites toward the sustainability of human life and the environment. This study implies that it is a source of knowledge for researchers about zinc-layered hydroxide materials involving synthesis methods and their application to produce more beneficial nanomaterials.
{"title":"Synthesis and Application of Zinc Layered Hydroxide: A Short Review","authors":"Norhayati Hahsim, Z. Muda, Illyas Md Isa, Norlaili Abu Bakar, Wan Rusmawati Wan Mahamod, N. Mohd Ali, Sharifah Norain Mohd Sharif, Maizatul Najwa Jajuli, Syazwan Afif Mohd Zobir, S. Suyanta","doi":"10.22146/ijc.82281","DOIUrl":"https://doi.org/10.22146/ijc.82281","url":null,"abstract":"Zinc Layered hydroxide (ZLH) is a layered material easily synthesized with a structure identical to brucite-like material. Due to the exchangeable anions in the interlayer compensating for the positive charge of a brucite-type layer, ZLH provides a wide application in many fields. This review focuses on the properties and method of synthesis of ZLH by giving an overview of intercalated guest anion in the interlayer of ZLH. The further discussion involved the application of intercalated guest anion in zinc layered hydroxide layer and its properties as a sensitizer, controlled release biomedical, and agriculture to provide the scientific community for research and development by giving current findings. This brief review also presents the success of anion intercalation for controlled release along with the kinetic model involved, which increases the bioavailability and effectiveness of the nanocomposite on its target. It shows the development of research on ZLH nanocomposites toward the sustainability of human life and the environment. This study implies that it is a source of knowledge for researchers about zinc-layered hydroxide materials involving synthesis methods and their application to produce more beneficial nanomaterials.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49338407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Akram Fakhriza, B. Rusdiarso, S. Sunarintyas, N. Nuryono
The physical and antibacterial properties of mineral trioxide aggregate (MTA) have been improved by adding copper nanoparticles (CuNP). The CuNP colloid was synthesized by reacting CuCl2·2H2O and NaBH4 as the reducing agent using C6H8O6 as the capping agent. The Cu(II) concentration was varied by 3.0, 6.0, and 9.0 mM to produce CuNP-3, CuNP-6, and CuNP-9 colloids, respectively. The CuNP colloids were characterized with a UV-Vis spectrophotometer and TEM. MTA was hydrated with CuNP at a mass-to-volume ratio of 2:1 to produce Cu-MTA-3, Cu-MTA-6, and Cu-MTA-9, respectively. All products were characterized with XRD and SEM-EDX. The compressive strength, pH, Ca ion release, and solubility were measured, and antibacterial activity was tested. The results showed a spherical shape of the synthesized CuNP with a particle size of ~28.08 nm. Adding CuNP-9 to hydrated MTA increased the compressive strength, pH, Ca ion release, and solubility, with the value of 4.78±0.38 MPa; 9.01±0.03; 1718±63 ppm, and 22.48±0.37%, respectively. The highest antibacterial activity occurred for Cu-MTA-9, with an inhibition zone of 10.15±0.47 mm against S. aureus and 11.93±1.16 mm against P. aeruginosa. The findings show a potential application of the product for endodontic materials containing antibacterial agents.
{"title":"The Addition of Copper Nanoparticles to Mineral Trioxide Aggregate for Improving the Physical and Antibacterial Properties","authors":"Muhammad Akram Fakhriza, B. Rusdiarso, S. Sunarintyas, N. Nuryono","doi":"10.22146/ijc.79491","DOIUrl":"https://doi.org/10.22146/ijc.79491","url":null,"abstract":"The physical and antibacterial properties of mineral trioxide aggregate (MTA) have been improved by adding copper nanoparticles (CuNP). The CuNP colloid was synthesized by reacting CuCl2·2H2O and NaBH4 as the reducing agent using C6H8O6 as the capping agent. The Cu(II) concentration was varied by 3.0, 6.0, and 9.0 mM to produce CuNP-3, CuNP-6, and CuNP-9 colloids, respectively. The CuNP colloids were characterized with a UV-Vis spectrophotometer and TEM. MTA was hydrated with CuNP at a mass-to-volume ratio of 2:1 to produce Cu-MTA-3, Cu-MTA-6, and Cu-MTA-9, respectively. All products were characterized with XRD and SEM-EDX. The compressive strength, pH, Ca ion release, and solubility were measured, and antibacterial activity was tested. The results showed a spherical shape of the synthesized CuNP with a particle size of ~28.08 nm. Adding CuNP-9 to hydrated MTA increased the compressive strength, pH, Ca ion release, and solubility, with the value of 4.78±0.38 MPa; 9.01±0.03; 1718±63 ppm, and 22.48±0.37%, respectively. The highest antibacterial activity occurred for Cu-MTA-9, with an inhibition zone of 10.15±0.47 mm against S. aureus and 11.93±1.16 mm against P. aeruginosa. The findings show a potential application of the product for endodontic materials containing antibacterial agents.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44003179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ilmi Nur Indira Savitri, P. K. Jiwanti, Ilmanda Zalzabhila Danistya Putri, Irkham Irkham, Y. Einaga, G. Supriyanto, Y. H. Wong, S. Srivastava, C. A. Che Abdullah
This study investigates the effects of boron concentration on boron-doped diamond (BDD) electrodes for electrochemical sensors of ciprofloxacin. The effects of boron concentration, scan rate, and pH of BDD electrodes with boron concentrations of 0.1, 0.5, and 1% were examined to determine the optimal conditions. Furthermore, square wave voltammetry (SWV) in phosphate buffer pH 7 was used to analyze the electrochemical behavior of ciprofloxacin. The results revealed a linear calibration curve in the concentration range of 30–100 μM with a recovery of 85–110%. Meanwhile, BDD electrode with the highest boron concentration in this experiment (1%) showed a very low limit of detection of 0.17 μM, meaning that 1% BDD gave a highly sensitive and significant measurement result for the electrochemical sensor of ciprofloxacin. With the results given, this study provides new insights for controlling boron concentrations in diamond electrodes for the electrochemical sensors of quinolone antibiotics.
{"title":"The Dependence of Boron Concentration in Diamond Electrode for Ciprofloxacin Electrochemical Sensor Application","authors":"Ilmi Nur Indira Savitri, P. K. Jiwanti, Ilmanda Zalzabhila Danistya Putri, Irkham Irkham, Y. Einaga, G. Supriyanto, Y. H. Wong, S. Srivastava, C. A. Che Abdullah","doi":"10.22146/ijc.82135","DOIUrl":"https://doi.org/10.22146/ijc.82135","url":null,"abstract":"This study investigates the effects of boron concentration on boron-doped diamond (BDD) electrodes for electrochemical sensors of ciprofloxacin. The effects of boron concentration, scan rate, and pH of BDD electrodes with boron concentrations of 0.1, 0.5, and 1% were examined to determine the optimal conditions. Furthermore, square wave voltammetry (SWV) in phosphate buffer pH 7 was used to analyze the electrochemical behavior of ciprofloxacin. The results revealed a linear calibration curve in the concentration range of 30–100 μM with a recovery of 85–110%. Meanwhile, BDD electrode with the highest boron concentration in this experiment (1%) showed a very low limit of detection of 0.17 μM, meaning that 1% BDD gave a highly sensitive and significant measurement result for the electrochemical sensor of ciprofloxacin. With the results given, this study provides new insights for controlling boron concentrations in diamond electrodes for the electrochemical sensors of quinolone antibiotics.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42829141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Khoirul Ihsan Solihin, St Mardiana, H. Rusli, G. Kadja
Heavy metal ions have attracted significant concern regarding their toxicity in living organisms. Concurrently, the removal of heavy metals by the adsorption method is also under the spotlight because it is effective, less cost-demanding, and easy to operate. To date, natural zeolites become one of the most used adsorbents for it is low cost, abundant in reserve, and has high selectivity towards heavy metal. Zeolites possess negatively charged three-dimensional frameworks built by SiO4 and AlO4 tetrahedra, which are balanced by counter-cations. The cations within zeolite frameworks can be exchanged with the heavy metal cations in an aqueous environment. This review comprehensively reports the adsorption capacity of heavy metal ions using pristine and modified natural zeolite. The important aspects, including the physicochemical properties of pristine and modified natural zeolites, heavy metal ion adsorption isotherms, kinetics, and thermodynamics, are discussed in detail. It is imperative to note that the physicochemical properties of natural zeolites greatly determine the adsorption capability. Furthermore, natural zeolites could be modified with various molecules such as surfactants and polymers to improve the adsorption capacity and adsorb heavy metal anions. Ultimately, this review is concluded with prospects for future improvement.
{"title":"Removal of Heavy Metal Ions Using Pristine and Functionalized Natural Zeolites","authors":"Khoirul Ihsan Solihin, St Mardiana, H. Rusli, G. Kadja","doi":"10.22146/ijc.81098","DOIUrl":"https://doi.org/10.22146/ijc.81098","url":null,"abstract":"Heavy metal ions have attracted significant concern regarding their toxicity in living organisms. Concurrently, the removal of heavy metals by the adsorption method is also under the spotlight because it is effective, less cost-demanding, and easy to operate. To date, natural zeolites become one of the most used adsorbents for it is low cost, abundant in reserve, and has high selectivity towards heavy metal. Zeolites possess negatively charged three-dimensional frameworks built by SiO4 and AlO4 tetrahedra, which are balanced by counter-cations. The cations within zeolite frameworks can be exchanged with the heavy metal cations in an aqueous environment. This review comprehensively reports the adsorption capacity of heavy metal ions using pristine and modified natural zeolite. The important aspects, including the physicochemical properties of pristine and modified natural zeolites, heavy metal ion adsorption isotherms, kinetics, and thermodynamics, are discussed in detail. It is imperative to note that the physicochemical properties of natural zeolites greatly determine the adsorption capability. Furthermore, natural zeolites could be modified with various molecules such as surfactants and polymers to improve the adsorption capacity and adsorb heavy metal anions. Ultimately, this review is concluded with prospects for future improvement.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41751827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The purification of terephthalic acid recovered from an alkali-reduction wastewater by reactive crystallization was investigated. The crude terephthalic acid was reacted with sodium hydroxide solution to form a salt of disodium terephthalate, then acidified with sulfuric acid to get the terephthalic acid with higher purity. Effects of time, pH, concentration, and flow rate of secondary feed solutions, temperature, and stirring rate on Crystal Size Distribution (CSD) of terephthalic acid precipitate were investigated. The results showed that CSD was influenced by the concentration of reactants and the pH solution. On the other hand, time, temperature, flow rate of secondary solution, and stirring rate had no significant effects on the CSD, which the mean size of crystals ±3 μm. The mean size of crystals at solution pH 5, 4, and 3 were 6.03, 9.42, and 10.34 μm, respectively; meanwhile, at concentrations of 0.5, 0.3, and 0.1 M, were 7.57, 3.24, and 3.09 μm, respectively. The semi-batch reactive crystallization with double-feeding at constant pH and temperature produced monodispersed crystals. However, this method needs to be carried out more than once for terephthalic acid purification, which is intended for polyethylene terephthalate (PET) polymerization.
{"title":"Investigation of Crystal Size Distribution in Purification of Terephthalic Acid from Polyester Textile Industry Waste by Reactive Crystallization","authors":"Bekti Marlena, H. Sulistyo, R. Rochmadi","doi":"10.22146/ijc.80820","DOIUrl":"https://doi.org/10.22146/ijc.80820","url":null,"abstract":"The purification of terephthalic acid recovered from an alkali-reduction wastewater by reactive crystallization was investigated. The crude terephthalic acid was reacted with sodium hydroxide solution to form a salt of disodium terephthalate, then acidified with sulfuric acid to get the terephthalic acid with higher purity. Effects of time, pH, concentration, and flow rate of secondary feed solutions, temperature, and stirring rate on Crystal Size Distribution (CSD) of terephthalic acid precipitate were investigated. The results showed that CSD was influenced by the concentration of reactants and the pH solution. On the other hand, time, temperature, flow rate of secondary solution, and stirring rate had no significant effects on the CSD, which the mean size of crystals ±3 μm. The mean size of crystals at solution pH 5, 4, and 3 were 6.03, 9.42, and 10.34 μm, respectively; meanwhile, at concentrations of 0.5, 0.3, and 0.1 M, were 7.57, 3.24, and 3.09 μm, respectively. The semi-batch reactive crystallization with double-feeding at constant pH and temperature produced monodispersed crystals. However, this method needs to be carried out more than once for terephthalic acid purification, which is intended for polyethylene terephthalate (PET) polymerization.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44325798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
R. Pingak, Soukaina Bouhmaidi, L. Setti, B. Pasangka, B. Bernandus, H. I. Sutaji, F. Nitti, M. Z. Ndii
This study reports for the first time the theoretical prediction of structural, electronic, elastic and optical properties of cubic BaLiCl3, BaLiBr3, and BaLiI3 perovskites. The corresponding properties of the well-known BaLiF3 are also theoretically investigated. Density Functional Theory (DFT) using the Generalized Gradient Approximation (GGA) was implemented within the Quantum Espresso package to investigate the properties of the perovskites. The results revealed that BaLiX3 (X = F, Cl, Br, and I) are in ionic crystal forms with optimized lattice parameters of 4.04, 4.90, 5.21, and 5.66 Å, respectively. The minor band gaps were found to be 6.62 eV (Γ→Γ), 4.29 eV (R→Γ), 3.50 eV (R→Γ), and 2.58 eV (R→Γ) for the respective compounds. The investigation of their elastic properties indicated that these perovskites are all mechanically stable, while only BaLiBr3 and BaLiI3 are malleable. Finally, the studied perovskites exhibit excellent optical properties, including low reflectivity and high absorption in the ultraviolet region. Hence, it is predicted that these perovskites are suitable for various optoelectronic applications involving absorption in the UV region. However, BaLiBr3 and BaLiI3 are more favorable than BaLiF3 and BaLiCl3 to be deposited as thin films due to their flexibility.
{"title":"Structural, Electronic, Elastic, and Optical Properties of Cubic BaLiX3 (X = F, Cl, Br, or I) Perovskites: An Ab-initio DFT Study","authors":"R. Pingak, Soukaina Bouhmaidi, L. Setti, B. Pasangka, B. Bernandus, H. I. Sutaji, F. Nitti, M. Z. Ndii","doi":"10.22146/ijc.83261","DOIUrl":"https://doi.org/10.22146/ijc.83261","url":null,"abstract":"This study reports for the first time the theoretical prediction of structural, electronic, elastic and optical properties of cubic BaLiCl3, BaLiBr3, and BaLiI3 perovskites. The corresponding properties of the well-known BaLiF3 are also theoretically investigated. Density Functional Theory (DFT) using the Generalized Gradient Approximation (GGA) was implemented within the Quantum Espresso package to investigate the properties of the perovskites. The results revealed that BaLiX3 (X = F, Cl, Br, and I) are in ionic crystal forms with optimized lattice parameters of 4.04, 4.90, 5.21, and 5.66 Å, respectively. The minor band gaps were found to be 6.62 eV (Γ→Γ), 4.29 eV (R→Γ), 3.50 eV (R→Γ), and 2.58 eV (R→Γ) for the respective compounds. The investigation of their elastic properties indicated that these perovskites are all mechanically stable, while only BaLiBr3 and BaLiI3 are malleable. Finally, the studied perovskites exhibit excellent optical properties, including low reflectivity and high absorption in the ultraviolet region. Hence, it is predicted that these perovskites are suitable for various optoelectronic applications involving absorption in the UV region. However, BaLiBr3 and BaLiI3 are more favorable than BaLiF3 and BaLiCl3 to be deposited as thin films due to their flexibility.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41782032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, silica gel was extracted from rice husk ash using a modified acid-leaching process. The gel was then characterized using an X-ray Diffractometer (XRD) and an X-ray Fluorescence (XRF). At different loadings of 0, 0.05 and 0.10 wt.%, silica gel was used as a cross-linker in the membrane formulation. Fourier Transform Infrared Spectroscopy (FTIR) and Scanning Electron Microscopy (SEM) were used to characterize the membranes, while their performance was determined by pure water flux. XRD and XRF results revealed that the gel contained 76.85% silica. The presence of silica gel in membranes results in optimal water flux, indicating that the membranes have achieved good integral stability via the cross-linking process. Based on these positive findings, the applications of the membranes in the water-oil separation process will be evaluated in future work.
{"title":"Integral Membrane Properties of Polysulfone/Chitosan/Polyvinyl Alcohol Blend Incorporated with Rice Husk Ash Silica Gel","authors":"N. Chik, N. K. Kassim Shaari","doi":"10.22146/ijc.76999","DOIUrl":"https://doi.org/10.22146/ijc.76999","url":null,"abstract":"In this study, silica gel was extracted from rice husk ash using a modified acid-leaching process. The gel was then characterized using an X-ray Diffractometer (XRD) and an X-ray Fluorescence (XRF). At different loadings of 0, 0.05 and 0.10 wt.%, silica gel was used as a cross-linker in the membrane formulation. Fourier Transform Infrared Spectroscopy (FTIR) and Scanning Electron Microscopy (SEM) were used to characterize the membranes, while their performance was determined by pure water flux. XRD and XRF results revealed that the gel contained 76.85% silica. The presence of silica gel in membranes results in optimal water flux, indicating that the membranes have achieved good integral stability via the cross-linking process. Based on these positive findings, the applications of the membranes in the water-oil separation process will be evaluated in future work.","PeriodicalId":13515,"journal":{"name":"Indonesian Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.9,"publicationDate":"2023-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42704164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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