Essay On Molecular Dynamics And Monte Carlo Simulation

Thermodynamics is a scientific fundamental for oil and gas operations. The oil and gas engineering includes complicated processes that require numerous calculations, based on empirically derived equations of state. The equations of state interconnect the properties of the system, yet physics is still not studied and poorly described in academic sources. For the moment, the application of empirical equations proves valid only for the limited number of processes with simple molecules. Yet, when physics is discovered and confirmed, the scientific potential of the equations of state can be extended to characterize process.
The new political conditions and increased market competition requires new strategies and plans for development, both economic and technological. These challenges in the industry induced development of theory for oil and gas engineering. The simulations techniques are valuable tools for confirmation of theories for applied processes. Thus, the advances in observation of fluid properties and pressure-temperature conditions, as well as effluent composition are necessary. The thermodynamics equations are the means for process control that enable implementation of the new processes for profitable projects.
The properties of surface installations in oil and gas industry are obtained basing on the theoretical characteristics of fluids. Therefore, the appropriate design is necessary not only for sustaining the technological conditions and obtaining the required product, but also for economic reasons. The engineering aspects of oil and gas production are related to quality improvement and energy conservation in the existent facilities, reasonable investment plans, and optimal sizes of production facilities.
After the Kyoto protocol had been adopted, new direction arose. The protocol covered three areas: environmental and political. The appliance requires technological and economical decisions.The implementation of the new technological processes require numerous expensive, complicated and potentially hazardous tests.
The modern sustainable development strategy suggests that the potentially hazardous tests are to be realized only if no other alternatives of data achievement are available. In addition, the industrial laboratory facilities are not able to handle the increased quantity of research and analyses. Hence, molecular simulation is a valuable option. It is cost effective, energy-conservative, and friendly to the environmental and public health and involves minimum additional resources. The current research presents the simulation techniques for description of molecular interactions in oil and gas production. The modelling with application of physical science, mathematics and opportunities of modern software makes the technique reliable and advanced. The valuable data for oil and gas industry can be achieved. Then, it can contribute in the national oil and gas industry competitiveness, and thus in the national economics. The advance in theory and physics beyond the equations of state is also the important achievement for modelling. The project covers several gaps in fluids thermodynamics, includes calculations and modelling the molecular interactions of the complex molecules with the specific domain characteristics, and pressure and temperature conditions in presence of acidic components. Although the significant advance has been achieved, the space for further research is still vast.