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The increasing energy demand in harbour areas, coupled with the need to reduce pollutant emissions, has led to the development of renewable energy-based polygeneration systems to face the carbon footprint of ports and ships at berth. In this way, in the coming years, ports can be converted into modern energy hubs. From this point of view, this paper presents a new dynamic simulation model for assessing and optimizing the energy and economic impact of ports. Here, energy systems and renewable sources can be designed to be connected to national electricity and natural gas grids and can include also alternative fuels (hydrogen, biomethane, etc.) and thermal energy networks, as well as different biomass fluxes (to be exploited for energy aims). Energy availability/demands of near towns and port buildings/infrastructures, as well as on-shore power supply are also included in the dynamic assessments. Hourly weather data and different prices for all the considered energy carriers are taken into account hour by hour. A multi-objective optimization approach is also implemented in the model considering energy and economic indexes to be optimized. The whole model is implemented in a computer tool written in MATLAB. For showing the capability of the developed model, a novel case study referred to the port of Naples (South-Italy) is presented. Here, several renewable energy sources are considered, including an anaerobic biodigester for producing biogas from the organic waste of docked cruise ships. A combined heat and power system (fed by biogas) is implemented in the port energy hub also for supplying absorption chillers. PV panels, and marine power generators are also included. In the conducted analysis, optimization targets are the maximization of system self-consumption and self-sufficiency as well as the minimum simple payback period. The proposed system can effectively contribute to the decarbonization of the port energy demand and reduce harmful pollutant emissions. Results showed that very high rate of renewable energy produced on-site can be exploited (up to 84%) by the considered port facilities, ensuring increasing independency from utility power grid (self-sufficiency index up to 40%). By the obtained results and through the developed simulation/optimization tool, novel design and operating criteria can be achieved for future port energy hubs featured by renewables and bi-directional energy exchange between ships and port. [ABSTRACT FROM AUTHOR]