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According to the recent enactments of the European authorities, the reduction of CO2 emissions is one of the main targets, in order to achieve climate neutrality. However, under the Industry 4.0 framework, several digital technologies and techniques have been introduced. More specifically, advanced simulation techniques, such as Digital Twins are being integrated in modern manufacturing systems for monitoring as well as optimizing manufacturing processes. Therefore, taking into consideration that energy distribution and consumption is highly volatile, there is an emerging need for estimating energy demands, as well as to distribute energy in the best possible way, so that manufacturing processes are not interrupted. Consequently, the contribution of this research work is focused firstly on the modelling of a Smart Grid, then on the design and development of the Digital Twin of the modelled Smart Grid, and to the development of suitable optimization models/algorithms for electric energy distribution. The proposed energy distribution framework can be realized as a platform, on which the energy customers are capable of registering their company to the Smart Grid and use the optimization services in order to optimize their energy profile. Thus, this framework can be considered as Product-Service System (PSS), offered by energy suppliers. The applicability of the simulation framework is validated in a university campus.