Journal of the Indian Chemical Society最新文献

{"title":"Improving the structural, morphological, mechanical, vibrational and photocatalytic properties of CuO/starch/PVA ternary nanocomposite for packaging and wastewater remediation","authors":"Chan Kok Sheng,&nbsp;Yousef Mohammad Alrababah","doi":"10.1016/j.jics.2025.101644","DOIUrl":"10.1016/j.jics.2025.101644","url":null,"abstract":"<div><div>Synthetic polymers are increasingly used in daily activities due to their desirable mechanical properties, cost affordability, and convenience. Despite this, they generate substantial hazardous waste that is detrimental to the ecosystem, prompting industries to adopt eco-friendly, compatible and non-toxic nanocomposites. In this work, copper oxide (CuO) nanoparticles were incorporated into polyvinyl alcohol (PVA) and starch via a precipitation-casting approach to form a CuO/starch/PVA ternary nanocomposite film. This composite causes a significant shift of dominant peaks with enhanced intensity in the infrared (IR) spectra. SEM images reveal a homogeneous distribution of tiny CuO nanoparticles on the starch/PVA surface. The XRD analysis validates the coexistence of the crystalline CuO monoclinic phase and the semi-crystalline starch/PVA composite. CuO/starch/PVA exhibits improved mechanical tensile strength and Young's modulus compared to pure starch and starch/PVA. The photocatalytic degradation was performed on rhodamine 6G (R6G) dye solution under continuous ultraviolet (UV) irradiation. The kinetic reaction rate constant is found to be 2.22 × 10^-4 min^-1 (R² ≈ 0.9930), which decomposes R6G about 1.5 times faster than CuO (1.50 × 10^-4 min^-1). CuO/starch/PVA can potentially be applied in many sustainable sectors, especially packaging and photocatalysis.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101644"},"PeriodicalIF":3.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ionic liquids and deep eutectic solvents: A brief prologue and their applications in sustainable extraction and separation processes","authors":"Sachind Prabha Padinhattath ,&nbsp;M. Shaibuna ,&nbsp;Ramesh L. Gardas","doi":"10.1016/j.jics.2025.101638","DOIUrl":"10.1016/j.jics.2025.101638","url":null,"abstract":"<div><div>Sustainable extraction and separation methods are vital for reducing environmental impact and ensuring economic efficiency. Such techniques can minimise resource depletion and pollution while promoting circular economy principles and advancing green technological solutions. Researchers are actively seeking sustainable solvents for extraction and purification processes. Ionic liquids (ILs) and deep eutectic solvents (DESs) have recently been introduced as designer solvents to overcome the environmental issues associated with conventional extraction and separation techniques. ILs are synthesized from organic cations and organic or inorganic anions, whereas DESs are low-melting mixtures formed from two or more components via hydrogen bonding interactions. Both of these benign solvents have similar physicochemical characteristics, and due to their unique properties, they are suitable for a wide range of applications. This review offers a brief summary of the development of IL and DES chemistry, focusing on their origin, classifications, similarities and differences, and unique properties of these solvents. Later, the review discusses the growing impact of ILs and DESs across various fields, including wastewater treatment, biomolecule extraction, e-waste management, spent nuclear fuel reprocessing, biomass dissolution, CO₂ capture, desulfurization of fuels, and other relevant extraction/separation processes. Overall, the review highlights the versatility and efficiency of ILs and DESs in addressing various challenges across multiple domains.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101638"},"PeriodicalIF":3.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Improvement of photocatalytic activity of TiO2 via a dual approach, consisting of iron doping and incorporation in Cu-based metal-organic framework","authors":"Ashti Ghaderi ,&nbsp;Moayad Hossaini Sadr ,&nbsp;Mehrnaz Gharagozlou ,&nbsp;Samahe Sadjadi","doi":"10.1016/j.jics.2025.101636","DOIUrl":"10.1016/j.jics.2025.101636","url":null,"abstract":"<div><div>In attempt to develop an efficient photocatalyst, TiO₂ particles were doped with iron to give Fe–TiO₂ particles with lower band-gap energy (2.25 eV). The resultant particles were then incorporated in Cu-based metal-organic framework with high specific surface area (1151 m²g^-1) via in-situ approach to furnish a photocatalytic nanocomposite, which was comprehensively characterized via FTIR, XRD, BET, XPS, SEM/EDS, TEM and DRS. The results underlined that metal-organic framework was successfully formed in the presence of Fe–TiO₂ particles and the particles were located on the surface and within the pores of metal-organic framework. Moreover, the band-gap energy of the composite was measured as 2.60 eV. The photocatalytic activity of the as-prepared photocatalyst was assessed for degradation of Congo red dye under UV light irradiation and the effects of influential parameters, such as dye initial concentration and catalyst loading were investigated. The results confirmed high photocatalytic activity of the composite (89 % degradation yield), which was superior compared to that of its components, confirming the synergistic effects. Furthermore, the composite was recyclable and could be recovered and reused for six successive runs with slight loss of activity and leaching of Fe–TiO₂ (1 wt%). Kinetic studies also indicated that photodegradation proceeded via a second-order model.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101636"},"PeriodicalIF":3.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigating the potential of Zn2+, Cd2+ and Ni2+ substituted bismuth magnesium tantalate pyrochlores as a new class of ceramic dielectrics","authors":"C.C. Khaw ,&nbsp;P.Y. Tan ,&nbsp;K.B. Tan ,&nbsp;K.Y. Chan ,&nbsp;H.C. Ananda Murthy ,&nbsp;R. Balachandran ,&nbsp;S.K. Chen ,&nbsp;M.M.A. Kechik ,&nbsp;O.J. Lee ,&nbsp;M. Lu","doi":"10.1016/j.jics.2025.101637","DOIUrl":"10.1016/j.jics.2025.101637","url":null,"abstract":"<div><div>This study examined the impact of zinc (Zn), cadmium (Cd) and nickel (Ni) transition metals on the formation, structure and dielectric properties of bismuth magnesium tantalate (BMT) pyrochlores. A one-to-one substitution of Mg²⁺ with Zn²⁺, Cd²⁺ and Ni²⁺ in BMT pyrochlore was proposed, with Zn²⁺ (0.74 Å) and Ni²⁺ (0.69 Å) substituting the 6-coordinated B-site Mg²⁺ (0.72 Å), while Cd²⁺ (1.10 Å), possessing a similar ionic radius to Bi³⁺ (1.17 Å), replaced Mg²⁺ (0.90 Å) at the 8-coordinated A-site. The resulting doped BMT pyrochlore solid solutions adhered to the formulas: (Bi₃.₅Mg₀.₅)(Mg₁._3-xZn_xTa₂.₇)O₁₃.₈ (0 ≤ x ≤ 0.6), (Bi₃.₅Mg₀.₅)(Mg₁._3-xNi_xTa₂.₇)O₁₃.₈ (0 ≤ x ≤ 0.1) and (Bi₃.₅Mg₀._5-xCd_x)(Mg₁.₃Ta₂.₇)O₁₃.₈ (0 ≤ x ≤ 0.1). X-ray diffraction (XRD) confirmed their phase purity, with lattice parameters ranging from 10.5515 (10) to 10.6312 (21) Å. Notably, grain size remained consistent (1.3–22.4 μm) across these modified BMT pyrochlores, exhibiting relative densities ≥90 % of the theoretical value. Scherrer and Williamson-Hall analyses indicated crystallite sizes within the 31–68 nm range. Furthermore, thermal stability was confirmed over ∼30–1000 °C due to the absence of thermal events. The Ni-doped BMT pyrochlore (x = 0.1) demonstrated enhanced conductivity (activation energy, E_a = 1.38 eV) compared to the undoped material (E_a = 1.47 eV). Conversely, Zn- and Cd-doped BMT pyrochlores showed reduced conductivity (E_a ≈ 1.53 eV and 1.51 eV, respectively) with increasing dopant concentration. Specifically, Zn-doped (x = 0.6) and Cd-doped (x = 0.1) BMT exhibited favourable dielectric properties: moderately high dielectric constants (ε′ ≈ 80), low dielectric loss (tan <em>δ</em> ≈ 2 x 10⁻³) and a low temperature coefficient of dielectric constant (TCε' ≈ −200 to −240 ppm/°C), making them suitable for ceramic capacitor applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101637"},"PeriodicalIF":3.2,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Performance evaluation of activated carbon fabrics for protection against chemical warfare agents in protective clothing","authors":"Himanshi Dhyani ,&nbsp;Ravindra V. Adivarekar ,&nbsp;Vikas B. Thakare ,&nbsp;Suraj Bharati ,&nbsp;Ajay Dixit ,&nbsp;Manorama Vimal ,&nbsp;Vinod Kumar ,&nbsp;Prabhat Garg","doi":"10.1016/j.jics.2025.101635","DOIUrl":"10.1016/j.jics.2025.101635","url":null,"abstract":"<div><div>Activated carbon fabric (ACF) is a functional material designed for the adsorption of toxic chemicals, including chemical warfare agents (CWAs). It offers a combination of high surface area, well-developed pore structure, flexibility, and breathability, making it suitable for use in chemical protective clothing. This study evaluates and compares the performance of indigenously developed ACF vis-a-vis commercially available imported ACFs, focusing on physical attributes such as tensile strength, tear strength, air permeability, and surface area, as well as chemical characteristics including adsorption and permeation efficiency. The indigenous ACF with an areal density of 182 g/m² demonstrated superior mechanical properties, with tensile strengths of 34.83 Kgf (warp) and 13.41 Kgf (weft), and tear strengths of 3.67 Kgf (warp) and 2.18 Kgf (weft) while maintaining competitive adsorption performance, with BET surface area of 975.77 m²/g. Chemical protective clothing composite materials designed by using different ACFs were evaluated using qualitative Sulfur Mustard (HD) breakthrough time (HD-BTT) test, as per IS 17377: 2020, as well as quantitative liquid CWA challenge test in static diffusion mode using innovatively developed test apparatus and method to evaluate the protection factor mimicking realistic conditions. The results showed that the indigenous ACF-based protective clothing material provided more than 48 h of HD-BTT protection. In the liquid CWA challenge test, the indigenous ACF-based clothing demonstrated excellent protection, with protection factors of 99.44 % against Sarin (GB), 99.73 % against Sulfur Mustard (HD), and 100 % against VX, which are comparable to commercial ACF-based clothing materials. These findings underscore the potential of indigenously developed ACF as a cost-effective solution for high-performance chemical protective clothing in armed forces, paramilitary forces, and civilian applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101635"},"PeriodicalIF":3.2,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nickel ferrite-based graphite-paste electrochemical sensor for detection of paracetamol and dopamine molecules","authors":"Yogendra Kumar ,&nbsp;Shubham Sharma ,&nbsp;Kunj Bihari Mishra ,&nbsp;Man Vir Singh ,&nbsp;VSR Rajasekhar Pullabhotla ,&nbsp;Panchanan Pramanik","doi":"10.1016/j.jics.2025.101633","DOIUrl":"10.1016/j.jics.2025.101633","url":null,"abstract":"<div><div>NiFe₂O₄ nanoparticles (NPs) were employed to develop a novel electrochemical sensor having the detection limit up to nano mole with remarkable sensitivity. The modified electrochemical sensor was used with high efficacy in the detection of paracetamol (PCM) and dopamine (DA). The NPs being synthesized by combusting nickel acetate and ferric nitrate in the presence of sugar and monoethanolamine. The size, form, and morphology of the NPs were characterized using some advanced analytical techniques including energy-dispersive X-ray spectroscopy (EDS), field emission scanning electron microscopy (FESEM), and X-ray diffraction pattern (XRD). On the basis of characterizations, it was observed that the synthesized NPs exhibited a cubic crystal lattice having the size ranging from 10 to 12 nm as calculated by Debye-Scherrer equation. Next, the composite material, enhanced with graphite powder (GP), functioned as an electrode (NiFe₂O₄/GP) for the concurrent identification of PCM and DA through the utilization of cyclic voltammetry (CV) and differential pulse voltammetry (DPV) methodologies. The results obtained from CV and DPV experiments at the surface of NiFe₂O₄/GP electrode reveals that the proposed electrochemical sensor having the remarkable sensitivity, achieving detection limits as low as 300.0 nM for DA and 400.0 nM for PCM, surpassing the values documented in previous research. The electrode demonstrated a linear range of 3.0–160.0 μM for PCM and 5.0–200.0 μM for DA. The oxidation peaks of DA and PCM were easily identifiable when differential pulse voltammetry and cyclic voltammetry were conducted with scan rates of 100 mVs⁻¹ and 50 mVs⁻¹, respectively. The measurements were performed in a phosphate buffer solution with a pH of 6.0. The electrodes yielded positive results when applied to actual samples of PCM and DA.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101633"},"PeriodicalIF":3.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural evaluation of Acetate-Xylene solutions - A thermodynamic and dielectric approach using microwave technique","authors":"P.D. Hambarde ,&nbsp;S.S. Birajdar ,&nbsp;D.B. Suryawanshi ,&nbsp;A.C. Kumbharkhane","doi":"10.1016/j.jics.2025.101632","DOIUrl":"10.1016/j.jics.2025.101632","url":null,"abstract":"<div><div>At different temperature, frequency and composition the complex permittivity spectra (CPS) of acetate with xylene were measured using Time domain dielectric spectroscopy technique in 10 MHz–50 GHz frequency range. Values of static dielectric parameters have been obtained by fitting CPS to Debye model using non-linear least squares fit method. Bruggeman factor and thermodynamic properties have been evaluated to understand structural variation and dielectric behavior of ethyl acetate-xylene binary mixtures. The experimental evaluation &amp; observation of ε_o^E, (1/τ)^E and g^eff has been commenced to reveal the behavior of molecular construction, intermolecular interactions in n-butyl acetate-xylene binary mixture. Both systems studied in comparison with previous to understand molecular dynamics and effect of high frequency, temperature with variation in composition, which suggest a rise in alignment of molecules, non-linear function with hetero-interactions with decrease in dipoles having slower rotation, and has antiparallel orientation of dipoles with clear understanding the concept of molecular dynamics.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101632"},"PeriodicalIF":3.2,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and characterization of high entropy MOFs as enhanced chemiresistive ammonia gas sensor agents","authors":"Prerana Loomba ,&nbsp;Sujith Benarzee Nallamalla ,&nbsp;A. Jagan Mohan Reddy ,&nbsp;Naresh Kumar Katari ,&nbsp;Surendra Babu Manabolu Surya","doi":"10.1016/j.jics.2025.101631","DOIUrl":"10.1016/j.jics.2025.101631","url":null,"abstract":"<div><div>The integration of diverse metals to form high-entropy materials represents a highly effective approach for attaining superior electrochemical properties, attributed to their varied metallic compositions and elevated densities of active sites. A two high-entropy metal-organic framework (HE-MOF-1 and HE-MOF-2) comprising six metals (Mn, Co, Cu, Ni, Zn, and Fe/Zr) and 2-aminoisopthallic acid are efficiently synthesized using a mild solvothermal method. These are characterized by IR, Powder X-ray Diffraction (PXRD), Scanning Electron Microscopy (SEM)- Energy-dispersive X-ray spectroscopy (EDX), Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), and X-ray Photoelectron Spectroscopy (XPS) techniques. EDX and XPS studies confirm the presence of metals, while the metal ratio of HE-MOF-1 is Mn_5.19, Fe_5.56, Co_7.29, Ni_6.86, Cu_3.38, Zn_3.92 and HE-MOF-2 is Mn_0.023, Co_6.19, Cu_0.03, Ni_6.57, Zn_3.91, Zr_0.01, are analyzed by ICP-OES respectively. The specific surface area of HE-MOF-1 is 118.935 (m²/g) and HE-MOF-2 is 62.9 (m²/g) by Brunauer–Emmett–Teller (BET) analysis and pore size is 3.14 and 2.81 by the Barrett, Joyner, Halenda (BJH) method respectively. Gas sensing studies were performed using a two-probe static method on ammonia, ethanol, acetone, benzene, toluene, and xylene gases. Gas sensing response values of HE-MOF-1, and HE-MOF-2, are 63.4 and 45.19 respectively at 50 ppm concentration and no sensing response towards ethanol, acetone, benzene, toluene, and xylene even at 50 ppm. The shorter response times of 35 s for HE-MOF-1 and 19 s for HE-MOF-2 at lower concentrations highlight the sensor's suitability for rapid detection of low-level ammonia. Response and recovery times were determined using transient response analysis and stability with time is determined.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101631"},"PeriodicalIF":3.2,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of post-heat treatment on corrosion resistance and microstructural characteristics of CMT-WAAM Inconel 718 in 3.5 % NaCl solution","authors":"Santhosh Velmurugan ,&nbsp;N. Babu ,&nbsp;V. Santhosh","doi":"10.1016/j.jics.2025.101625","DOIUrl":"10.1016/j.jics.2025.101625","url":null,"abstract":"<div><div>This study investigates the electrochemical corrosion performance and microstructural evolution of Inconel 718 (IN718) produced via Cold Metal Transfer-based Wire Arc Additive Manufacturing (CMT-WAAM). The corrosion performance of as-deposited and API Heat-Treated (HT) samples was evaluated in a 3.5 % NaCl solution using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), Atomic Force Microscopy (AFM), X-ray Diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), and Scanning Electron Microscopy (SEM). The API heat treatment involved solution treatment and homogenization at 1080 °C, followed by double aging at 720 °C and 620 °C. Heat-treated samples exhibited reduced corrosion current density (i_corr) and increased polarization resistance (Rp), alongside a more positive corrosion potential (E_corr) compared to as-deposited samples. EIS measurements confirmed enhanced passivation with lower passivation current density, while microstructural characterization revealed reduced Laves phase intensity, refined grains, and improved elemental distribution in heat-treated samples. AFM confirmed that heat-treated specimens exhibited a smoother surface morphology, while SEM revealed fewer surface cracks and enhanced passivation. These findings underscore the importance of API heat treatment in enhancing the corrosion resistance of WAAM-processed IN718.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101625"},"PeriodicalIF":3.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tetraalkylammonium halide promoted CO2 and CH4 semiclathrate hydrate: Quality of phase equilibrium modeling with various cubic equation of state","authors":"Pratham M. Shah,&nbsp;Debashis Kundu","doi":"10.1016/j.jics.2025.101629","DOIUrl":"10.1016/j.jics.2025.101629","url":null,"abstract":"<div><div>Tetra-n-butylammonium bromide (TBAB) and tetra-n-butylammonium fluoride (TBAF)-based semiclathrate hydrates present promising solutions for gas sequestration, transportation, and gas storage applications. In this study, the modeling investigations have been conducted on CO₂ and CH₄ semiclathrate hydrates formed with TBAB and TBAF using the Chen-Guo model. To assess the gas phase fugacity, three different equations of state (EoS) are employed. Initially, a comprehensive comparison of these EoS at a concentration of 5 wt% has been conducted. The EoS exhibiting the lowest absolute average relative deviation (AARD%) has been selected, serving as the basis for further comparisons at varying concentrations. Subsequently, the comparisons to different semiclathrate systems are being extended, considering the most efficient EoS and concentration parameters. The simplicity of the vdW-EoS, with its reliance on only two parameters, contributes to its superior performance in the majority of the configurations examined compared to the more complex RK and PR EoS models. These findings contribute to an enhanced understanding of semiclathrate hydrate systems and improve predictive capabilities in this field.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 4","pages":"Article 101629"},"PeriodicalIF":3.2,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}