Design a robust sliding mode controller based on the state and parameter estimation for the nonlinear epidemiological model of Covid-19

In this research, the challenging problem of Covid-19 mitigation is looked at from an engineering point of view. At first, the behavior of coronavirus in the Iranian and Russian societies is expressed by a set of ordinary differential equations. In the proposed model, the control input signals are vaccination, social distance and facial masks, and medical treatment. The unknown parameters of the system are estimated by long short-term memory (LSTM) algorithm. In the LSTM algorithm, the problem of long-term dependency is prevented. The uncertainty and measurement noises are inherent characteristics of epidemiological models. For this reason, an extended Kalman filter (EKF) is developed to estimate the state variables of the proposed model. In continuation, a robust sliding mode controller is designed to control the spread of coronavirus under vaccination, social distance and facial masks, and medical treatment. The stability of the closed-loop system is guaranteed by the Lyapunov theorems. The official confirmed data provided by the Iranian and Russian ministries of health are employed to simulate the proposed algorithms. It is understood from simulation results that global vaccination has the potential to create herd immunity in long term. Under the proposed controller, daily Covid-19 infections and deaths become less than 500 and 10 people, respectively.

     

Evaluation of the thermal properties of SrCO3-microencapsulated palmitic acid composites as thermal energy storage materials

Journal of Thermal Analysis and Calorimetry - A novel composite of SrCO3-microencapsulated palmitic acid (PA) (PA@SrCO3 microcapsules) was prepared an evaluated as a phase-change material through a...     

Permeation of CO2 and N2 through glassy poly(dimethyl phenylene) oxide under steady- and presteady-state conditions

Glassy polymers are often used for gas separations because of their high selectivity. Although the dual-mode permeation model correctly fits their sorption and permeation isotherms, its physical interpretation is disputed, and it does not describe permeation far from steady state, a condition expected when separations involve intermittent renewable energy sources. To develop a more comprehensive permeation model, we combine experiment, molecular dynamics, and multiscale reaction–diffusion modeling to characterize the time-dependent permeation of N₂ and CO₂ through a glassy poly(dimethyl phenylene oxide) membrane, a model system. Simulations of experimental time-dependent permeation data for both gases in the presteady-state and steady-state regimes show that both single- and dual-mode reaction–diffusion models reproduce the experimental observations, and that sorbed gas concentrations lag the external pressure rise. The results point to environment-sensitive diffusion coefficients as a vital characteristic of transport in glassy polymers.     

4H-benzochromene derivatives as novel tyrosinase inhibitors and radical scavengers: synthesis,biological evaluation,and molecular docking analysis

Molecular Diversity - A series of ethyl 2-amino-4H-benzo[h]chromene-3-carboxylate derivatives, having phenyl ring with diverse substituents at C4 position of 4H-benzochromene nucleus, were...     

Energy,exergy and economic analysis of utilizing the supercritical CO2 recompression Brayton cycle integrated with solar energy in natural gas city gate station

Journal of Thermal Analysis and Calorimetry - To understand the impacts of adding twisted tape inside the tube with hybrid nanomaterial, the present paper has been examined with considering FVM....     

Construction of Giant‐Spin Hamiltonians from Many‐Spin Hamiltonians by Third‐Order Perturbation Theory and Application to an Fe3Cr Single‐Molecule Magnet

A general giant‐spin Hamiltonian (GSH) describing an effective spin multiplet of an exchange‐coupled metal cluster with dominant Heisenberg interactions was derived from a many‐spin Hamiltonian (MSH) by treating anisotropic interactions at the third order of perturbation theory. Going beyond the existing second‐order perturbation treatment allows irreducible tensor operators of rank six (or corresponding Stevens operator equivalents) in the GSH to be obtained. Such terms were found to be of crucial importance for the fitting of high‐field EPR spectra of a number of single‐molecule magnets (SMMs). Also, recent magnetization measurements on trigonal and tetragonal SMMs have found the inclusion of such high‐rank axial and transverse terms to be necessary to account for experimental data in terms of giant‐spin models. While mixing of spin multiplets by local zero‐field splitting interactions was identified as the major origin of these contributions to the GSH, a direct and efficient microscopic explanation had been lacking. The third‐order approach developed in this work is used to illustrate the mapping of an MSH onto a GSH for an trigonal Fe₃Cr complex that was recently investigated by high‐field EPR spectroscopy. Comparisons between MSH and GSH consider the simulation of EPR data with both Hamiltonians, as well as locations of diabolical points (conical intersections) in magnetic‐field space. The results question the ability of present high‐field EPR techniques to determine high‐rank zero‐field splitting terms uniquely, and lead to a revision of the experimental GSH parameters of the Fe₃Cr SMM. Indeed, a bidirectional mapping between MSH and GSH effectively constrains the number of free parameters in the GSH. This notion may in the future facilitate spectral fitting for highly symmetric SMMs.     

Generalising the mean spherical approximation as a multiscale,nonlinear boundary condition at the solute–solvent interface

ABSTRACT

In this paper, we extend the familiar continuum electrostatic model to incorporate finite-size effects in the solvation layer, by perturbing the usual macroscopic interface condition. The perturbation is based on the mean spherical approximation (MSA), to derive a multiscale solvation-layer interface condition (SLIC/MSA). We show that SLIC/MSA reproduces MSA predictions for Born ions in a variety of polar solvents, including water as well as other protic and aprotic solvents. Importantly, the SLIC/MSA model predicts not only solvation free energies accurately but also solvation entropies, which standard continuum electrostatic models fail to predict. The SLIC/MSA model depends only on the normal electric field at the dielectric boundary, similar to our recent development of a SLIC model for charge-sign hydration asymmetry, and the reformulation of the MSA as an effective boundary condition enables its straightforward application to complex molecules such as proteins, whereas traditionally it is primarily a bulk theory. This work also opens the possibility for other electrolyte models to be incorporated into fast implicit-solvent models of biomolecular electrostatics.