Indian Institute of Technology Ropar

About: Indian Institute of Technology Ropar is a education organization based out in Ropar, India. It is known for research contribution in the topics: Catalysis & Computer science. The organization has 1014 authors who have published 2878 publications receiving 35715 citations.

Substrate-Independent Epitaxial Growth of the Metal-Organic Framework MOF-508a.

Abstract: Plasmachemical deposition is a substrate-independent method for the conformal surface functionalization of solid substrates. Structurally well-defined pulsed plasma deposited poly(1-allylimidazole) layers provide surface imidazole linker groups for the directed liquid-phase epitaxial (layer-by-layer) growth of metal–organic frameworks (MOFs) at room temperature. For the case of microporous [Zn (benzene-1,4-dicarboxylate)-(4,4′-bipyridine)0.5] (MOF-508), the MOF-508a polymorph containing two interpenetrating crystal lattice frameworks undergoes orientated Volmer–Weber growth and displays CO2 gas capture behavior at atmospheric concentrations in proportion to the number of epitaxially grown MOF-508 layers.

Role and significance of wetting pressures during droplet impact on structured superhydrophobic surfaces.

Abstract: The impact dynamics and spreading behavior of droplets impinging on structured superhydrophobic surfaces are dependent on both the droplet initial conditions and the surface texture. The equivalence of wetting and dewetting pressures is classically known to be a critical factor in determining the state of a droplet during the contact and spreading phases. The present study extensively examines the underlying physics behind this pressure balance during the impact process and its direct role in determining the wetting process. Extensive three-dimensional simulations employing droplet impact on a structured superhydrophobic surface has been performed to reveal the intricacies of the interactivities of the fluid with the microstructure. Insight onto the acute role of wetting pressures and the implications of the same on determining the wetting dynamics, with internal fluidics of the droplet during the impact process, has been discussed. The phenomenon of state transition from the Cassie-Baxter to the Wenzel up on impact is also investigated and the intricate flow mechanics at play within the posts has been presented. Knowledge of pressure distribution and internal flow structures within the droplet during its interaction with the surface at different instances of time reveals the root mechanism behind the impalement of the droplet to a fully wetting state. Analysis of the internal pressure and flow distribution also presents necessary justification for the existence of a partially impaled state. The time evolution of spread for different scenarios is in agreement with experimental results and the article provides insight onto the role of wetting pressure in determining fluidic interactions on such surfaces.

Fundamental Study of Reversible Hydrogen Storage in Titanium- and Lithium-Functionalized Calix[4]arene

Abstract: Hydrogen is the most promising candidate for a sustainable energy source in the transport sector. However, the storage of hydrogen is a major problem. Calix[4]arene (CX) is functionalized with Ti and Li metals on the delocalized π electrons of benzene rings, and the metal-functionalized system is studied for hydrogen storage efficiency by applying density functional theory using the M06 hybrid functional and 6-311G(d,p) basis set. The calculated binding energy indicates Ti coordinates with CX strongly while Li coordinates weakly and the binding of CX and metal is through Dewar mechanism. On saturation with hydrogen, each Ti atom traps four H2 molecules while each Li atom traps three H2 molecules on CX. Hydrogen molecules are adsorbed on the metal atoms by Kubas–Niu–Rao–Jena interaction. The global reactivity index obtained for the system obeys the maximum hardness and minimum electrophilicity principle. Molecular dynamics simulations are performed using spin-polarized generalized gradient approximation wi...

Bank Competition and its Determinants: Evidence from Indian Banking

Abstract: This paper measures the degree of bank competition in India using a sample of 70 commercial banks over the period 1996–2016. To assess the degree of competition, we estimate the market power of eac...