Characterisation and mechanical modelling of polyacrylonitrile-based nanocomposite membranes reinforced with silica nanoparticles

In this study, neat polyacrylonitrile (PAN) and fumed silica (FS)-doped PAN membranes (0.1, 0.5 and 1 wt% doped PAN/FS) are prepared using the phase inversion method and are characterised extensively. According to the Fourier Transform Infrared (FTIR) spectroscopy analysis, the addition of FS to the neat PAN membrane and the added amount changed the stresses in the membrane structure. The Scanning Electron Microscope (SEM) results show that the addition of FS increased the porosity of the membrane. The water content of all fabricated membranes varied between 50% and 88.8%, their porosity ranged between 62.1% and 90%, and the average pore size ranged between 20.1 and 21.8 nm. While the neat PAN membrane’s pure water flux is 299.8 L/m2 h, it increased by 26% with the addition of 0.5 wt% FS. Furthermore, thermal gravimetric analysis (TGA) and differential thermal analysis (DTA) techniques are used to investigate the membranes’ thermal properties. Finally, the mechanical characterisation of manufactured membranes is performed experimentally with tensile testing under dry and wet conditions. To be able to provide further explanation to the explored mechanics of the membranes, numerical methods, namely the finite element method and Mori–Tanaka mean-field homogenisation are performed. The mechanical characterisation results show that FS reinforcement increases the membrane rigidity and wet membranes exhibit more compliant behaviour compared to dry membranes

Halloysite nanotube-enhanced polyacrylonitrile ultrafiltration membranes: fabrication, characterization, and performance evaluation

This research focuses on the production and characterization of pristine polyacrylonitrile (PAN) as well as halloysite nanotube (HNT)-doped PAN ultrafiltration (UF) membranes via the phase inversion technique. Membranes containing 0.1, 0.5, and 1% wt HNT in 16% wt PAN are fabricated, and their chemical compositions are examined using Fourier transform infrared (FTIR) spectroscopy. Scanning electron microscopy (SEM) is utilized to characterize the membranes’ surface and cross-sectional morphologies. Atomic force microscopy (AFM) is employed to assess the roughness of the PAN/HNT membrane. Thermal characterization is conducted using thermal gravimetric analysis (TGA) and differential thermal analysis (DTA), while contact angle and water content measurements reveal the hydrophilic/hydrophobic properties. The pure water flux (PWF) performance of the porous UF water filtration membranes is evaluated at 3 bar, with porosity and mean pore size calculations. The iron (Fe), manganese (Mn), and total organic carbon (TOC) removal efficiencies of PAN/HNT membranes from dam water are examined, and the surfaces of fouled membranes are investigated by using SEM post-treatment. Mechanical characterization encompasses tensile testing, the Mori–Tanaka homogenization approach, and finite element analysis. The findings offer valuable insights into the impact of HNT doping on PAN membrane characteristics and performance, which will inform future membrane development initiatives

Computational molecular characterization of the flavonoid rutin

In this work, we make use of a model chemistry within Density Functional Theory (DFT) recently presented, which is called M05-2X, to calculate the molecular structure of the flavonoid Rutin, as well as to predict the infrared (IR) and ultraviolet (UV-Vis) spectra, the dipole moment and polarizability, the free energy of solvation in different solvents as an indication of solubility, the HOMO and LUMO orbitals, and the chemical reactivity parameters that arise from Conceptual DFT. The calculated values are compared with the available experimental data for this molecule as a means of validation of the used model chemistry

Measuring bank efficiency: DEA application

The paper aims to improve the methodology of measuring efficiency of Latvian banks. Efficiency scores were calculated with application of non-parametric frontier technique Data Envelopment Analysis (DEA). Input-oriented DEA model under Variable Returns to Scale (VRS) assumption was used. Potential model variables were selected based on the intermediation and profitability approach. Fourteen alternative models with different inputs-outputs combinations were developed for the research purposes. To substantiate the variables selection for DEA model the received data was processed, using such methods, as correlation analysis, linear regression analysis, analysis of mean values, and two-samples Kolmogorov-Smirnov test. The research results assisted the authors in providing general recommendations about the variables selection for DEA application in the Latvian banking sector. The present research contributes to the existing analytical data on bank performance in Latvia. The empirical findings provide a background for further studies, in particular, the efficiency of Latvian banks could be analysed in the extended time period

Structural and electronic properties of InmSen microclusters: density functional theory calculations

We have investigated the structural and electronic properties of isolated InmSen microclusters for m + n less than or equal to 4 by performing density functional theory calculations. We have obtained the optimum geometries, possible dissociation channels and the electronic structure of the clusters considered

ELECTRONIC-ENERGY CALCULATION OF C-60 CLUSTERS

The ground-state total electronic energy of the Buckminsterfullerene (BF) and truncated dodecahedron (TD) models of C60 has been calculated using the empirical tight-binding (ETB) method. it was found that the BF model was energetically more stable than the TD model Of C60

Multi-stage onboard inventory management policies for food and beverage items in cruise liner operations

We examine optimal policies for multi-stage replenishment of an onboard food and beverage (F&B) item for a cruise liner. Typically, in cruise liner operations, F&B items are ordered from suppliers before the final number of bookings is realized so as to take advantage of price discounts due to advanced contracting. Later, based on the realized headcount, F&B consumption distribution is updated, and subsequently, additional purchases can be made from local spot markets at the origin just prior to the departure and/or at an intermediate stop during the voyage. We investigate and identify optimal contracting and inventory replenishment policies that incorporate contracted and expedited purchasing schemes. We show that while optimal stock market replenishments follow base stock policies, optimal contracting decision can be derived from a piecewise cost function. We discuss insights from our results and propose future research opportunities for similar settings with multiple replenishment instants