Department of Chemical Engineering
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Item Hydrogen adsorption in pyridine bridged porphyrin-covalent organic framework(Elsevier, 2019) Ghosh, SarbaniCovalent organic frameworks (COFs), a class of carbon-based polymeric materials have the potential to be used as hydrogen adsorbent. Three dimensional (3D) COFs, due to their low density and high surface area, although have higher hydrogen adsorption, they have less stability than two dimensional (2D) COFs. Here we studied porphyrin group containing 2D COF, namely H2,P-COF for hydrogen storage using density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulations and the results were compared with the most common 2D COFs, COF-1 and COF-5. Cylindrical shaped 2D COFs where isolated unit blocks are stacked in multiple layers due to van der Waals interactions between individual layers, increase the effective surface area for hydrogen storage. A further modification has been done by bridging the inter-layer gap by pyridine molecules. Insertion of pyridine increases the separation distance of layers of 2D COFs as well as the free volume. Feasibility of the structure formation and stability of all the structures were checked using DFT study. To ensure the structural stability of bridged COFs after hydrogen loading, alternating layers of COF were bridged. Single, bi, tri and tetra -pyridine molecules were chemically bonded with the existing carbon ring present in between two C2O2B rings to form pyridine bridged H2,P-COFs. Our GCMC results show a significant increase in storage capacity which is mainly due to an increase in the free volume of the material. The highest capacity of 5.1 wt% and 20 g H2/L at 298 K and 100 bar, above the gravimetric DOE goal, has been found at room temperature for tetra-pyridine doped porphyrin COF structure.Item Theoretical investigation of cross flow ultrafiltration by mixed matrix membrane: A case study on fluoride removal(Elsiever, 2015-06-01) Chatterjee, SomakSelective membrane filtration with high throughput can be achieved using mixed matrix membrane (MMM). The application of MMM in integrated membrane processing requires a continuous mode of operation. Therefore, understanding the mechanism of cross flow ultrafiltration of MMM is important from the design and operational point of view. Theoretical analysis based on first principles presented in this study takes into account the simultaneous occurrence of adsorption in the matrix and spatially developing concentration polarization layer over the membrane surface. The change in the filtration regime from adsorption dominated to diffusion governed can be identified. The developed model is validated with cross flow ultrafiltration experiments of fluoride contaminated solution using activated alumina MMM, for different operating conditions. The impact of the adsorption isotherm constants on the system performance is also evaluated.Item Adsorptive removal of potentially toxic metals (cadmium, copper, nickel and zinc) by chemically treated laterite: Single and multicomponent batch and column study(Elsiever, 2017-08) Chatterjee, SomakEfficiency of chemically treated laterite was tested to remove, copper, cadmium, zinc and nickel (potentially toxic metals) from drinking water. Infrared spectroscopy confirms the uptake of these contaminants by treated laterite. Optimum treatment parameters are observed at 10 mg/L adsorbent concentration, 0.26 mm particle size and pH range of 6–9. Maximum uptake capacities are observed to be 3.7 mg/g (0.03 mmol/g), 2.8 mg/g (0.04 mmol/g), 2.8 mg/g (0.04 mmol/g) and 2 mg/g (0.03 mmol/g), for cadmium, copper, zinc and nickel, respectively. Adsorption was endothermic and physical in nature. Fixed bed column study was carried out using a multicomponent feed having concentration 5 mg/L of each potentially toxic metal, and the effect of bed depth and flow rate were observed. Corresponding to a specific process condition, saturation was faster for nickel followed by zinc, cadmium and copper. The column was also tested for a real-life toxic metal contaminated river sample, collected from Yamuna River, New Delhi (GPS location 30° 54/N and 76° 59/E).Item A socio-economic study along with impact assessment for laterite based technology demonstration for arsenic mitigation(Elsiever, 2017-04-01) Chatterjee, Somak; Bhattacharjee, SaikatArsenic contamination mitigation technologies have been adsorption-based, but the most widely-used and traditionally available adsorbents suffered inherent limitations, including cost infeasibility and problems associated with regeneration and disposal of the spent adsorbent. The present technology is based on indigenously developed activated laterite prepared from the naturally and abundantly available material, and can hence easily be scaled up for community usage and large scale implementation. The total arsenic removal capacity is 32.5 mg/g, which is the highest among all naturally occurring arsenic adsorbents. A major issue in earlier adsorbents was that during regeneration, the adsorbed arsenic would be released back into the environment (leaching), and would eventually contaminate the groundwater again. But the adsorbent in this filter does not require regeneration during its five-year lifespan and does not leach upon disposal.Item Chelating polyacrylonitrile beads for removal of lead and cadmium from wastewater(Elsiever, 2018-03) Chatterjee, SomakChelating polyacrylonitrile beads were prepared using phase inversion of polymeric drops in water bath, followed by treatment in sodium hydroxide solution. Applicability of these beads was tested to remove lead and cadmium from contaminated stream. The uptake capacity was 145 mg/g for lead and 156 mg/g for cadmium. Morphology showed that the porosity of the beads decreased upon treatment. Rapid weight loss was noticed in the range of 266–568 °C, during thermal analysis. Infrared studies showed that the nitrile group was rearranged to carboxyl and amine group due to hydrolysis of polyacrylonitrile beads, attracting the heavy metals electrostatically. Maximum removal of lead and cadmium was obtained at 5 g/L and neutral pH. Adsorption was exothermic and chemisorption in nature. Adsorption kinetics showed that the equilibrium was achieved within 600 min. The uptake capacity of individual heavy metals, i.e., lead and cadmium was reduced in multicomponent mixture due to competitive adsorption. Maximum desorption was obtained at acidic pH and the regenerated beads were successfully used for three cycles. The prepared beads were also tested using battery industry effluent, from Exide Industries Ltd., Haldia, West Bengal, India.Item Experimental, kinetic, equilibrium and regeneration studies for adsorption of Cr(VI) from aqueous solutions using low cost adsorbent (activated flyash)(Taylor & Francis, 2012-08-03) Gupta, SureshIn the present study, activated flyash — a low-cost adsorbent, is used as for Cr(VI) removal from aqueous solutions. Flyash is activated by giving heat treatment and with the use of concentrated sulfuric acid (98% w/w). Batch adsorption experiments are carried out to investigate the effect of influencing process parameters such as initial pH, change in pH during adsorption, contact time, adsorbent amount, and initial Cr(VI) concentration. The maximum adsorption of Cr(VI) on activated flyash is found at an initial pH value of 1. The value of pH increases with increase in adsorption of Cr(VI). The equilibrium data for adsorption of Cr(VI) on activated flyash is tested with different adsorption isotherm models such as Langmuir, Freundlich, Redlich—Peterson, Koble—Corrigan, Tempkin, Dubinin—Radushkevich and generalized isotherm models. The Koble—Corrigon isotherm model is found to be the most suitable one for Cr(VI) adsorption using activated flyash. The maximum adsorption capacity obtained is 21.9 mg g−1 at a pH value of 1. The adsorption process follows the second order kinetics and the corresponding rate constants are obtained at different initial Cr(VI) concentrations. Desorption of Cr(VI) from activated flyash using acid and base treatment shows a higher desorption efficiency by more than 85%. A feasible methodic solution for the disposal of contaminant (acid and base solutions) containing high concentration of Cr(VI) obtained during the desorption process is proposed.Item Experimental Investigations and Theoretical Modeling Aspects in Column Studies for Removal of Cr(VI) from Aqueous Solutions Using Activated Tamarind Seeds(Scientific Research, 2010) Gupta, SureshContinuous adsorption experiments are conducted using fixed-bed adsorption column to evaluate the performance of the adsorbent developed (from activated tamarind seeds) for the removal of Cr(VI) from aqueous solutions and the results obtained are validated with a model developed in this study. The effects of significant parameters such as flow rate, mass of adsorbent, and initial Cr(VI) concentration are studied and breakthrough curves are obtained. As the flow rate increases from 10 to 20 mL min-1, the breakthrough time decreases from 210 to 80 min. As the mass of adsorbent increases, breakthrough time gets delayed. The breakthrough times are obtained as 110, 115 and 210 min for 15, 20 and 25 g of activated tamarind seeds. As the initial Cr(VI) concentration increases from 100 to 200 mgL-1, the break point time decreases from 210 to 45 min. The process parameters for fixed-bed adsorption such as breakthrough time, total percentage removal of Cr(VI), adsorption exhaustion rate and fraction of unused bed length are calculated and the performance of fixed-bed adsorption column is analyzed. The mechanism for Cr(VI) adsorption on activated tamarind seeds is proposed. At low value of solution pH (= 1), the increase in Cr(VI) adsorption is due to the electrostatic attraction between positively charged groups of activated tamarind seeds and the HCrO4-. A mathematical model for fixed-bed adsorption column is proposed by incorporating the effect of velocity variation along the bed length in the existing model. Pore and surface diffusion models are used to describe the intra-particle mechanism for Cr(VI) adsorption. The breakthrough curve obtained theoretically from pore diffusion model and surface diffusion model are compared with experimental results for different operating conditions. The standard deviation values obtained for pore diffusion model and solid diffusion model are 0.111 and 0.214 respectively.Item Modeling, simulation, and experimental validation for continuous Cr(VI) removal from aqueous solutions using sawdust as an adsorbent(Elsiever, 2009-12) Gupta, SureshContinuous adsorption experiments were performed in a fixed-bed adsorption column to evaluate the performance of low-cost adsorbent (sawdust) developed for the removal of Cr(VI) from aqueous solutions. The effects of influencing parameters such as flow rate, mass of adsorbent, initial Cr(VI) concentration were studied and the corresponding breakthrough curves were obtained. The fixed-bed adsorption process parameters such as breakthrough time, total percentage removal of Cr(VI), adsorption exhaustion rate and fraction of unused bed-length were obtained. A mathematical model for fixed-bed adsorption column was proposed by incorporating the effect of velocity variation along the bed-length in the existing model. Pore and solid diffusion models were used to describe the intra-particle mechanism for Cr(VI) adsorption. The proposed mathematical model was validated with the literature data and the experimental data obtained in the present study and the model was found to be good for explaining the behavior of breakthrough curves.Item Utilization of waste product (tamarind seeds) for the removal of Cr(VI) from aqueous solutions: Equilibrium, kinetics, and regeneration studies(Elsiever, 2009-07) Gupta, SureshIn the present study, an adsorbent was prepared from tamarind seeds and used after activation for the removal of Cr(VI) from aqueous solutions. The tamarind seeds were activated by treating them with concentrated sulfuric acid (98% w/w) at a temperature of 150 °C. The adsorption of Cr(VI) was found to be maximum at low values of initial pH in the range of 1–3. The adsorption process of Cr(VI) was tested with Langmuir, Freundlich, Redlich–Peterson, Koble–Corrigan, Tempkin, Dubinin–Radushkevich and Generalized isotherm models. Application of the Langmuir isotherm to the system yielded a maximum adsorption capacity of 29.7 mg/g at an equilibrium pH value ranging from 1.12 to 1.46. The adsorption process followed second-order kinetics and the corresponding rate constants obtained were 2.605 × 10−3, 0.818 × 10−3, 0.557 × 10−3 and 0.811 × 10−3 g/mg min−1 for 50, 200, 300 and 400 mg/L of initial Cr(VI) concentration, respectively. The regenerated activated tamarind seeds showed more than 95% Cr(VI) removal of that obtained using the fresh activated tamarind seeds. A feasible solution is proposed for the disposal of the contaminants (acid and base solutions) containing high concentrations of Cr(VI) obtained during the regeneration (desorption) process.Item Removal of toxic metal Cr(VI) from aqueous solutions using sawdust as adsorbent: Equilibrium, kinetics and regeneration studies(Elsiever, 2009-08-01) Gupta, SureshIn the present study, a low-cost adsorbent is developed from the naturally and abundantly available sawdust which is biodegradable. The removal capacity of Cr(VI) from aqueous solutions and from the synthetically prepared industrial effluent of electroplating and tannery industries is obtained. The batch experiments are carried out to investigate the effect of the significant process parameters such as initial pH, change in pH during adsorption, contact time, adsorbent amount, and the initial Cr(VI) concentration. The maximum adsorption of Cr(VI) on sawdust is obtained at an initial pH value of 1. The value of pH increases with increase in contact time and initial Cr(VI) concentration. The equilibrium data for the adsorption of Cr(VI) on sawdust is tested with various adsorption isotherm models such as Langmuir, Freundlich, Redlich–Peterson, Koble–Corrigan, Tempkin, Dubinin–Radushkevich and Generalized equation. The Langmuir isotherm model is found to be the most suitable one for the Cr(VI) adsorption using sawdust and the maximum adsorption capacity obtained is 41.5 mg g−1 at a pH value of 1. The adsorption process follows the second-order kinetics and the corresponding rate constants are obtained. Desorption of Cr(VI) from sawdust using acid and base treatment exhibited a higher desorption efficiency by more than 95%. A feasible solution is proposed, for the disposal of the contaminant (acid and base solutions) containing high concentration of Cr(VI) obtained during the desorption process. The interference of other ions which are generally present in the electroplating and tannery industrial effluent streams on the Cr(VI) removal is investigated.