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Molecular Simulations in Upstream Applications by Elkhansa Elbashier; Giuliano Carchini; Mohammed Saad; Ibnelwaleed A. Hussein; Golibjon R. Berdiyorov; Santiago Aparicio is a book available to read on EtoBox.

What is Molecular Simulations in Upstream Applications about?

Computer simulations are considered to be a good tool to supplement experimental studies on the behavior of different gas molecules and particles on porous materials and surfaces. They can provide nanoscopic details about the properties of small gas molecules on different surfaces and interfaces which are not accessible experimentally. Seaton et al. were the first to use molecular simulations to evaluate the distribution of the porous media toward the estimation of ultimate recovery (Seaton et al., 1989). Other studies were done in petroleum engineering using molecular simulation methods to investigate the fluid-fluid and fluid-solid interactions at nano-and microscales. This chapter introduces the most common simulation methods, how they are applied to petroleum engineering, and what type of parameters can each method provide. Moreover, the simulation work is applied to various problems in the oil and gas research, including enhanced oil recovery (EOR), enhanced gas recovery (EGR), the estimation of ultimate gas recovery (EUR), and the scale inhibition and removal which are described in the following sections of the chapter. ## Computational chemistry and molecular simulations Thi

Author

Elkhansa Elbashier; Giuliano Carchini; Mohammed Saad; Ibnelwaleed A. Hussein; Golibjon R. Berdiyorov; Santiago Aparicio

Publisher

Elsevier - Health Sciences Division

Published

2023

Language

EN

ISBN

9780323992862

Subjects

Engineering, Business, Technology