BITS Faculty Publications
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Item Mathematical modelling of the influence of physico-chemical properties on heavy metal adsorption by biosorbents(Elsevier, 2020-09) Goonetilleke, AshanthaAdsorption rate is a critical parameter in the design of effective biosorbent treatment systems for heavy metals removal. Though numerous studies have identified the physico-chemical properties of biosorbents that exert influence on the adsorption rate, such influence has not been mathematically defined, limiting the effective design of adsorption systems. This study quantifies the influence of biosorbent physico-chemical properties including, specific surface area, surface functional groups, pore size, pore volume and zeta potential on the adsorption rate in relation to three divalent metal cations. Mathematical equations were developed to predict the influence of physico-chemical properties on pseudo second order kinetic constant and thereby predict the adsorption rate. Tea factory waste and coconut shell biochar were mixed in different weight percentages to vary the physico-chemical properties under consideration. Four different initial metal ion concentrations were used. Relationship between pseudo second order kinetic constant at each concentration with physico-chemical properties was quantified using regression analysis. The experimental analysis revealed that among the physico-chemical properties, acidic surface functional groups had the most profound influence on sorption mechanisms. Reliability and accuracy of the predictive models were significantly improved when separate models were developed for two ranges of initial metal ion concentrations. The outcomes of this study will contribute to the effective design and optimization of biosorbent mixtures with the capacity to remove Pb2+, Cu2+ and Cd2+ in wastewater.Item Biosorption of heavy metals: transferability between batch and column studies(Elsevier, 2022-05) Goonetilleke, AshanthaThe design of an industrial water treatment system using sorption is based on laboratory column tests. To verify the applicability of a column sorption system at industrial scale, it is necessary to determine the system's breakthrough time (BT) in a laboratory setting. In a laboratory column set-up, BT is referred to as the time taken by the adsorbate to appear at column outlet for the first time. This is when the mass transfer zone (MTZ), where the equilibrium sorption occurs, reaches the end of the sorbent bed. However, such laboratory set-up requires significant resources including laboratory space, time and multiple trials, which is the opposite to the batch experimental approach that is commonly used to assess efficiency of sorbents. This study identified batch sorption parameters that can be used to determine BT for a column sorption setting for three toxic heavy metals commonly found in industrial wastewater, namely, Pb2+, Cd2+ and Cu2+. The study conducted a comprehensive evaluation of the relationships between column BT and its key influential factors, namely, equilibrium sorption capacity (qe), pseudo second-order kinetic rate constant (k2) and initial sorption rate (h). The results revealed that BT can be better estimated using h compared to qe and k2. As such, a batch experiment which is more resource efficient could be undertaken for an initial estimation of the experimental BT of a column system. Moreover, a simulation model developed to replicate column sorption could demonstrate the behaviour of the breakthrough curve, which is a key to the selection and assessment of the performance of a sorbent in an adsorbent column. The estimation errors in qe and k2 were found to influence the simulation outcomes. Hence, it is necessary to further investigate the other factors that can potentially influence sorption behaviour.Item Trends in small organic fluorescent scaffolds for detection of oxidoreductase(Elsevier, 2021-11) Sidhu, Jagpreet SinghOxidoreductases are diverse class of enzymes engaged in modulating the redox homeostasis and cellular signaling cascades. Abnormal expression of oxidoreductases including thioredoxin reductase, azoreductase, cytochrome oxidoreductase, tyrosinase and monoamine oxidase leads to the initiation of numerous disorders. Thus, enzymes are the promising biomarkers of the diseased cells and their accurate detection has utmost significance for clinical diagnosis. The detection method must be extremely selective, sensitive easy to use, long self-life, mass manufacturable and disposable. Fluorescence assay approach has been developed potential substitute to conventional techniques used in enzyme's quantification. The fluorescent probes possess excellent stability, high spatiotemporal ratio and reproducibility represent applications in real sample analysis. Therefore, the enzymatic transformations have been monitored by small activatable organic fluorescent probes. These probes are generally integrated with enzyme's substrate/inhibitors to improve their binding affinity toward the enzyme's catalytic site. As the recognition unit bio catalyzed, the signaling unit produces the readout signals and provides novel insights to understand the biochemical reactions for diagnosis and development of point of care devices. Several structural modifications are required in fluorogenic scaffolds to tune the selectivity for a particular enzyme. Hence, the fluorescent probes with their structural features and enzymatic reaction mechanism of oxidoreductase are the key points discussed in this review. The basic strategies to detect each enzyme are discussed. The selectivity, sensitivity and real-time applications are critically compared. The kinetic parameters and futuristic opportunities are present, which would be enormous benefits for chemists and biologists to understand the facts to design and develop unique fluorophore molecules for clinical applications.Item Kinetics of Nanoparticle–Membrane Adhesion Mediated by Multivalent Interactions(ACS, 2019-01) Jana, Pritam KumarMultivalent adhesive interactions mediated by a large number of ligands and receptors underpin many biological processes, including cell adhesion and the uptake of particles, viruses, parasites, and nanomedical vectors. In materials science, multivalent interactions between colloidal particles have enabled unprecedented control over the phase behavior of self-assembled materials. Theoretical and experimental studies have pinpointed the relationship between equilibrium states and microscopic system parameters such as the ligand–receptor binding strength and their density. In regimes of strong interactions, however, kinetic factors are expected to slow down equilibration and lead to the emergence of long-lived out-of-equilibrium states that may significantly influence the outcome of self-assembly experiments and the adhesion of particles to biological membranes. Here we experimentally investigate the kinetics of adhesion of nanoparticles to biomimetic lipid membranes. Multivalent interactions are reproduced by strongly interacting DNA constructs, playing the role of both ligands and receptors. The rate of nanoparticle adhesion is investigated as a function of the surface density of membrane-anchored receptors and the bulk concentration of nanoparticles and is observed to decrease substantially in regimes where the number of available receptors is limited compared to the overall number of ligands. We attribute such peculiar behavior to the rapid sequestration of available receptors after initial nanoparticle adsorption. The experimental trends and the proposed interpretation are supported by numerical simulations.Item Study of Kinetics of Iron Minerals in Coal by 57Fe Mössbauer and FT-IR Spectroscopy During Natural Burning(Springer, 2006-06) Bandyopadhyay, DebashisThe process of burning of sulphur rich coal from Jaipur mine in North-Eastern India was carried out at a temperature of (675 ± 5) °C for different time intervals. 57Fe Mössbauer spectroscopy was applied to study the reaction products of iron compounds in each step of thermal treatment. The transformation of Szomolnokite (FeSO4·H2O) and Pyrite (FeS2) in the as received coal sample finally transformed to γ-Fe2O3 and α-Fe2O3. Other clay minerals produce some low spin silicate ash. Fourier Transmission Infrared (FT-IR) spectroscopy gives the ratio of several structural parameters such as H ar/H al and H ar/C ar. DTA analysis of the coal sample gives the exothermic reaction at different temperatures. TGA and TG analysis of the coal sample in an inert atmosphere shows the weight loss of the coal sample in different temperature ranges.Item A detailed kinetic model for biogas steam reforming on Ni and catalyst deactivation due to sulfur poisoning(Elsiever, 2014-02) Srinivas, AppariThis paper deals with the development and validation of a detailed kinetic model for steam reforming of biogas with and without H2S. The model has 68 reactions among 8 gasphase species and 18 surface adsorbed species including the catalytic surface. The activation energies for various reactions are calculated based on unity bond index-quadratic exponential potential (UBI-QEP) method. The whole mechanism is made thermodynamically consistent by using a previously published algorithm. Sensitivity analysis is carried out to understand the influence of reaction parameters on surface coverage of sulfur. The parameters describing sticking and desorption reactions of H2S are the most sensitive ones for the formation of adsorbed sulfur. The mechanism is validated in the temperature range of 873–1200 K for biogas free from H2S and 973–1173 K for biogas containing 20–108 ppm H2S. The model predicts that during the initial stages of poisoning sulfur coverages are high near the reactor inlet; however, as the reaction proceeds further sulfur coverages increase towards the reactor exit. In the absence of sulfur, CO and elemental hydrogen are the dominant surface adsorbed species. High temperature operation can significantly mitigate sulfur adsorption and hence the saturation sulfur coverages are lower compared to low temperature operation. Low temperature operation can lead to full deactivation of the catalyst. The model predicts saturation coverages that are comparable to experimental observation.Item Micro-kinetic modeling of NH3 decomposition on Ni and its application to solid oxide fuel cells(Elsiever, 2011-11) Srinivas, AppariThis paper presents a detailed surface reaction mechanism for the decomposition of NH3 to H2 and N2 on a Ni surface. The mechanism is validated for temperatures ranging from 700 to 1500 K and pressures from 5.3 Pa to 100 kPa. The activation energies for various elementary steps are calculated using the unity bond index-quadratic exponential potential (UBI-QEP) method. Sensitivity analysis is carried out to study the influence of various kinetic parameters on reaction rates. The NH3 decomposition mechanism is used to simulate SOFC button cell operating on NH3 fuel.Item Biodegradation kinetics of Cr (VI) by acclimated mixed culture(JCE, 2011-05) Raghuvanshi, Smita; Gupta, SureshChromium was discovered in 1797 by Vauquelin. Numerous industrial applications raised chromium to a very important economic element. At the same time, with the development of its uses, the adverse effects of chromium compounds in human health were being investigated. Both acute and chronic toxicity of chromium are mainly caused by hexavalent compounds. It is highly toxic in nature and causes adverse effects on human beings. The present study deals with the removal of hexavalent chromium compound from industrial waste water using biodegradation by an acclimated mixed culture developed from activated sludge. The biodegradation studies are conducted for an initial Cr(VI) concentration ranging from 10-50 mg/L. The enrichment of culture is carried out for a period of 7 days. In these experiments, 100 mL of minimum salt medium (MSM) is autoclaved and added with known amount of acclimated mixed culture obtained from the enrichment procedure. Known amount of Cr(VI) is added in autoclaved MSM to maintain the required concentration of Cr(VI). The flasks are kept in the rotary shaker which is maintained at 37 C and at 150 rpm throughout the biodegradation process. The samples are collected at different intervals. The obtained biomass growth is significant and indicate the considerable decrease in Cr(VI) concentration in the solution The biodegradation rate kinetic parameters are obtained for zero order and three and half order kinetic models.Item Biodegradation kinetics of methyl iso-butyl ketone by acclimated mixed culture(Elsiever, 2009-06-26) Raghuvanshi, SmitaMethyl iso-butyl ketone (MIBK) is a widely used volatile organic compound (VOC) which is highly toxic in nature and has significant adverse effects on human beings. The present study deals with the removal of MIBK using biodegradation by an acclimated mixed culture developed from activated sludge. The biodegradation of MIBK is studied for an initial MIBK concentration ranging from 200–700 mg l−1 in a batch mode of operation. The maximum specific growth rate achieved is 0.128 h−1 at 600 mg l−1of initial MIBK concentration. The kinetic parameters are estimated using five growth kinetic models for biodegradation of organic compounds available in the literature. The experimental data found to fit well with the Luong model (R 2 = 0.904) as compared to Haldane model (R 2 = 0.702) and Edward model (R 2 = 0.786). The coefficient of determination (R 2) obtained for the other two models, Monod and Powell models are 0.497 and 0.533, respectively. The biodegradation rate found to follow the three-half-order kinetics and the resulting kinetic parameters are reported.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.