Molecular simulations in areas such as quantum physics

Molecular simulations in areas such as quantum physics, molecular dynamics, and Monte Carlo simulations bear strong relationships with approaches of improving energy savings (Keil, 2007).

Different strategies are used to reduce CO2 emissions and lead to energy savings. One of these areas where this is applied is in petroleum processing refineries. This is one of the sectors that produce large amounts of CO2 for the environment. However, this sector employs conventional refining methods and is in dire need of being reengineered. One key characteristic that is an impediment to process intensification in this field is the fouling concept.

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Thus to be successful in this field, process restrictions need to be removed to enhance system and process efficiency in mass and heat transfer within these systems. In this scope, large furnaces are used in the process to capture and stimulate endothermic reactions through hydrocarbon pyrolysis. The heat generated from these furnaces is continuously removed from the gases through a labyrinth of pipes and piping systems. Adiabatic reactions occur that relea in the range of 900 degrees centigrade in se temperature the process gases. In addition to that, the furnace incorporates a gas turbine cycle on a catalytic surface. This is achieved through various methods.

One of them is pressurized combustion. This method extracts high-grade heat while lower-grade heat is utilized in running other processes. CO2 produced from oils refineries results from the continuous removal of coke that is deposited on catalytic surfaces of the refinery impeding efficiency in heat and mass transfer. To effectively handle this problem, the concept of bulk chemicals plays a fundamental role in determining energy savings in the production process.

One such approach is incorporating the concept of local production that embraces a radical shift in the manufacturing process. Various elements in the manufacturing process need to be removed or manipulated to achieve the desired energy savings. Other factors incorporated in the manufacturing process need to be identified and removed or manipulated in the process intensification strategy. One such approach is an intensive approach in reforming methane. This is an endothermic process that consumes heat as an input causing methane to break into its constituency gases. The reaction is here represented to provide an insight into the chemical process, CH4 + H2O C0 + 3H2.

In addition to that, the reaction is two-way. Energy is conserved in the process by the use of catalytic pellets in the reaction process that can be gainfully collected and applied elsewhere. However, heat is released by methane gas and a system is incorporated that ensures efficient utilization of the released heat. The catalytic surface also retains some combustion heat that can be safely removed and taken away. In addition to that, combustion heat recovered through this way and other means are combined to generate power for other uses.

Another way process intensification is used to achieve energy savings and lead to reductions in CO2 emissions is upstream hydrocarbon production strategies and transportation methods. These methods focus on physical processes that lead to energy efficiency and reduced inventories. One approach is to manufacture chemicals at the site where they are needed as inputs to a process. This has been the case with chemical production in plants found in Norway. This plant focuses on the separation of ammonia and oxygen with the resulting chemical from the process being Nitrogen oxide. This process is environmentally friendly since no harmful products are produced in the process (Wöhlk & Hofmann, 1975).

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