Nowadays, clean and high-power generation is essential matters worldwide. To be improved and optimized, power plants require accurate models that can be introduced to process simulators. There is various commercial software for industrial simulation which is not accessible to everyone. The open-source DWSIM process simulator is the first chemical engineering code that offers many tools for the better study of industrial plants. In this paper, we employ DWSIM software to simulate a combined cycle gas turbine (CCGT) power plant under design conditions for three cases. The generic models are predicted for multistage compressors and compressor maps. In the first case, two models developed in ASPEN HYSYS and GateCycle will be considered. The achieved results by DWSIM are acceptably comparable for thermal efficiency and power generation. The DWSIM result is 3.5% lower than the ASPEN HYSYS for thermal efficiency, and the power generation is completely the same. In the second case, rigorous simulation was carried out using actual field data from the local CCGT power plant. The DWSIM outcomes are very close to the practical data. The power generation of GT and CC is very close; the variety is nearly 0.45%. In the third case, the simulation of CCGT with a cogeneration system is precisely accomplished, and the outcomes of DWSIM are shown in excellent agreement. The DWSIM prediction shows lower values by 0.26%, 4.79%, and 0.72% for the HP turbine, LP turbine, and plant net power, respectively.

The deoxygenation process in water used in well injection operations is an important matter to eliminate corrosion in the petroleum industry. This study used molecular dynamics simulations to understand the behavior of siloxane surfaces by studying the surface properties with two functional groups attached to the end of siloxane and their effect on the deoxygenation process. The simulations were performed using LAMMPS to characterize surface properties. Jmol software version 14 was used to generate siloxane chains with (8, 20, and 35) repeat units. We evaluated properties such as total energy, surface tension, and viscosity. Then, we used siloxane as a membrane to compare the efficiency of deoxygenation for both types of functional groups. The results indicated that longer chain lengths increased the total energy and viscosity while decreasing surface tension. Replacing methyl groups with trifluoromethyl (CF3) groups increased all the above mentioned properties in varying proportions. Trifluoromethyl (CF3) groups showed better removal efficiency than methyl (CH3) groups but allowed more water to pass. Furthermore, the simulations were run using the class II potential developed by Sun, Rigby, and others within an explicit-atom (EA) model. This force field is universally applicable to the atomistic simulation of polymers, inorganic small molecules, and common organic molecules.

In Iraq, combined cycle gas turbine (CCGT) systems are the only and main process for power generation (electricity). Due to its importance and significance, accurate simulation is crucial for evaluating the process performance under different operation conditions. In this study, DWSIM software, open-source simulation tool, was used for modeling and assessing CCGT performance during part-load circumstances. This software used for its reliability in capturing operational behavior. The methodology consists of simulating CCGT response under the variation of the power by integrating part-load performance equations into DWSIM software. Generally, two cases included in this work; the first case covered a DWSIM simulation during part-load operation using data from previously published works that used Aspen HYSYS. On the other hand, the second case included performing a DWISM simulation using real filed data. The results gained were validated by comparing it with Aspen HYSYS simulation. The comparison between DWSIM and HYSYS showed a 3.8% variation in power generation, a close match in fuel flow, and a maximum variation of 4.36% in gas turbine efficiency. The findings of this work confirm that the DWSIM software is flexible, free, and reliable simulation tool for evaluating CCGT power plant’s performance and operation. In addition, this work presented that this software is suitable for use in both industrial and academic applications due to its performance compared to that of commercial simulators.

The de-oxygenation process in water used in well injection operations is an important matter to eliminate corrosion in petroleum industry. This study used molecular dynamics simulations to understand the behavior of siloxane surface through studding the surface properties with two functional groups attached to the end of siloxane and their effect on de-oxygenation process. The simulations were performed using LAMMPS to characterize of surface properties. Jmol software was used to generate siloxane chains with (8, 20, and 35) repeat units. Firstly, we evaluated properties such as total energy, surface tension and viscosity. Then, we used siloxane as a membrane to compare the efficiency of de-oxygenation for the both types of functional groups. The results indicated that longer chains length increased total energy, viscosity while decreased surface tension. Replacing methyl groups with trifluoromethyl (CF3) groups increased all the above mentioned properties in varying proportions. Trifluoromethyl (CF3) groups showed better removal efficiency than methyl (CH3) groups but allowed more water to pass. Furthermore, the simulations were run using the class II potential developed by Sun, Rigby, and others within an explicit-atom (EA) model.