Faculty Publications

Now showing 1 - 4 of 4

Miscibility of polymethylmethacrylate and polyethyleneglycol blends in tetrahydrofuran
(2009) Muthu, M.S.; Bhat, D.K.; Renganathan, N.G.
The miscibility of polymethylmethacrylate (PMMA) and polyethyleneglycol (PEG) blends in tetrahydrofuran. (THF) has been investigated by viscosity, density, refractive index, and ultrasonic velocity studies. Various interaction parameters such as polymer-solvent and blend-solvent interaction parameters and heat of mixing have been calculated using the viscosity, density, and ultrasonic velocity data. The results indicated the existence of positive interactions in the blend polymer solutions and that they are miscible in THF in the entire composition range. The study also revealed that variation in the temperature does not affect the miscibility of PMMA and PEG blends in THF significantly. The presence of hydrogen bonding in the blends in the solid state has also been indicated by FTIR studies. © 2008 Wiley Periodicals, Inc.
Molecular dynamics investigation of dipeptide - Transition metal salts in aqueous solutions
(American Chemical Society service@acs.org, 2010) Santosh, M.S.; Lyubartsev, A.; Mirzoev, A.; Bhat, D.K.
Molecular dynamics (MD) simulations of glycylglycine dipeptide with transition metal ions (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+) in aqueous solutions have been carried out to get an insight into the solvation structure, intermolecular interactions, and salt effects in these systems. The solvation structure and hydrogen bonding were described in terms of radial distribution function (RDF) and spatial distribution function (SDF). The dynamical properties of the solvation structure were also analyzed in terms of diffusion and residence times. The simulation results show the presence of a well-defined first hydration shell around the dipeptide, with water molecules forming hydrogen bonds to the polar groups of the dipeptide. This shell is, however, affected by the strong electric field of divalent metal ions, which at higher ion concentrations lead to the shift in the dipeptide-water RDFs. Higher salt concentrations lead also to increased residence times and slower diffusion rates. In general, smaller ions (Cu2+, Zn2+) demonstrate stronger binding to dipeptide than the larger ones (Fe2+, Mn 2+). Simulations do not show any stronger association of peptide molecules indicating their dissolution in water. The above results may be of potential interest to future researchers on these molecular interactions. © 2010 American Chemical Society.
Electrodeposition and characterization of Ni-Mo alloy as an electrocatalyst for alkaline water electrolysis
(Elsevier B.V., 2017) Shetty, S.; Mohamed, M.; Bhat, D.K.; Hegde, A.C.
This work details the efficiency of Ni-Mo alloy as an electrode for water splitting application through electrodeposition method. Nano-crystalline Ni-Mo alloy coatings were deposited in the current density (c.d.) range of 1.0–4.0 A dm? 2 on a copper substrate, and were investigated for their deposit characters, and their electrocatalytic behaviours in 1.0 M KOH solution. The electrocatalytic behaviour of the coatings, in terms of their hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), were evaluated by electrochemical methods, like cyclic voltammetry (CV) and chronopotentiometry (CP). Experimental results revealed that Ni-Mo alloy electrodeposited at 1.0 A dm? 2 (38.3 wt% Mo) and 4.0 A dm? 2 (33.2 wt% Mo) shows the highest electrocatalytic tendency for HER and OER, respectively. The corrosion behaviour of Ni-Mo alloy coated at 4.0 A dm? 2 is found to be the most corrosion resistant in the same alkaline medium, compared to other coatings. The highest electrocatalytic activity of Ni-Mo alloy deposit for both HER and OER, depending on deposition c.d. was attributed to their composition (in terms of Ni and Mo content), structure and surface morphology; supported by EDXA, XRD, SEM and AFM analyses. The experimental study demonstrated that Ni-Mo alloy coatings follow Volmer-Tafel type of mechanism for HER, testified by Tafel slope analyses. © 2017 Elsevier B.V.
Solar active ZnO–Eu2O3 for energy and environmental applications
(Elsevier Ltd, 2020) Subramanian, S.; Kumaravel, K.; K, K.; Bhat, D.K.; Iyer Sathiyanarayanan, K.; Swaminathan, M.
ZnO–Eu2O3 nanocomposite was fabricated by a simple hydrothermal route. This material forms a potential class of photocatalysts in which the increased absorption behaviour in ZnO–Eu2O3 is expected to couple with the existing characteristics of Eu2O3 and ZnO materials. ZnO–Eu2O3 was characterized using surface analytical (SEM, EDS, HR-TEM, AFM, XRD) and spectroscopic techniques (XPS, DRS,PL). From the XRD patterns, formation of well-crystallized cubic Eu2O3 and hexagonal wurtzite phase of ZnO were inferred. Presence of nanoflake like structure with hexagonal ZnO and cubical Eu2O3 is shown by SEM pictures. ZnO–Eu2O3 possesses higher UV and visible absorption than Eu2O3 and ZnO. ZnO–Eu2O3 produces larger methanol oxidation current indicating its anodic catalytic efficiency in direct methanol fuel cells (DMFCs). This reveals higher electrocatalytic activity of ZnO–Eu2O3 than ZnO. It is observed that at ?1.6 V, cathodic current density (ipc) of ZnO–Eu2O3 (?103.17 mA cm?2) for Hydrogen evolution reaction (HER) is more than five times of ZnO (?18.19 mA cm?2) and the hydrogen evolved with ZnO–Eu2O3is 15.6 mL, which is higher than that of ZnO (6.8 mL). This indicates the superior catalytic property of ZnO–Eu2O3 in water splitting. This catalyst exhibited higher catalytic activity of 99.2% in the photodegradation of Rhodamine B (Rh-B) with natural sunlight in 75 min under neutral pH, whereas Eu2O3 and ZnO produced 60 and 82% degradations in the same time. Degradation quantum efficiency by ZnO–Eu2O3 is larger than ZnO and Eu2O3. ZnO–Eu2O3 was stable and reusable. The multifunctionality of this catalyst makes it suitable for energy and environmental applications. © 2020 Elsevier B.V.

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