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Nonbonding parameters of AMBER force field have been refined based onab initiobinding energies of CO2–[C7H5N2]−complexes. The energy and geometry scaling factors are obtained to be 1.2 and 0.9 forεandσparameters, respectively. Molecular dynamics simulations of CO2molecules in rigid framework ZIF-11, have then been performed using original AMBER parameters (SIM I) and refined parameters (SIM II), respectively. The site-site radial distribution functions and the molecular distribution plots simulations indicate that all hydrogen atoms are favored binding site of CO2molecules. One slight but notable difference is that CO2molecules are mostly located around and closer to hydrogen atom of imidazolate ring in SIM II than those found in SIM I. The Zn-Zn and Zn-N RDFs in free flexible framework simulation (SIM III) show validity of adapting AMBER bonding parameters. Due to the limitations of computing resources and times in this study, the results of flexible framework simulation using refined nonbonding AMBER parameters (SIM IV) are not much different from those obtained in SIM II.

Human activities have been limited by coronavirus disease 2019 (COVID-19), and the normal conditions of our lifestyles have changed, particularly in terms of electricity usage. The aim of this study was to investigate the impact of COVID-19 on the power sector in the Lao PDR in 2020, as well as the challenge of using solar energy to supply power to the network using an optimal approach. The returns on investment of network extension and the purchase of solar energy were also evaluated. Furthermore, load conditions caused by the country’s lockdown policy were analyzed. We analyzed the optimal sizing and location of solar energy using a particle swarm optimization method based on the main objective functions, with the system’s power loss decreasing and its reliability improved. The results demonstrated that the suddenly reduced load from industry and commercial business did not have a large impact on its operations; however, revenue was reduced. The optimal method for connecting solar energy to a network can reduce power loss and improve system reliability. In addition, we discovered that the location and capacity of solar generation can reduce the investment costs of extensions for new lines, with the surplus power being exported.

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