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Interfacial Engineering for Oil and Gas Applications: Role of Modeling and Simulation

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Abstract

Interfaces control the functional performance of advanced materials used in the oil and natural gas industry for applications ranging from oil recovery, and flow assurance to gas separation, and carbon capture and utilization. The interactions that govern such functional performance are extremely challenging to obtain empirically. This is partly because of the instability at fluid interfaces, but also due to the intrinsic complexity in quantification of the behavior of a large number of components and interactions. Molecular modeling offers a pathway to examine confined wettability, specific adsorption, and cooperative network formation with changes in chemical structure that act as a design platform for custom functional performance. This is especially important in oil and natural gas processing because of the large number of variations introduced through changes in environment from one location to another. This chapter highlights the iterative design of injection fluids, kinetic inhibitors, separation membranes, and conversion technologies through mechanistic insight gained from simulations primarily based on molecular dynamics and density functional theory approaches.

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Acknowledgements

This work was made possible by funding from ACS Petroleum Research Fund (ACS PRF 54801- ND5) and National Science Foundation (NSF DMR-1410290).

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Authors and Affiliations

  1. Department of Polymer Science, The University of Akron, Akron, OH, USA

    Kshitij C. Jha & Mesfin Tsige

  2. Department of Chemical Engineering, Indian Institute of Technology Delhi, New Delhi, India

    Vikram Singh

Authors
  1. Kshitij C. Jha
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  2. Vikram Singh
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  3. Mesfin Tsige
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Correspondence to Mesfin Tsige .

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Editors and Affiliations

  1. Department of Mechanical Engineering, State University of New York at Binghamton Department of Mechanical Engineering, Binghamton, New York, USA

    Congrui Jin

  2. Department of Civil and Environmental Engineering, Northwestern University, Evanston, Illinois, USA

    Gianluca Cusatis

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Jha, K.C., Singh, V., Tsige, M. (2016). Interfacial Engineering for Oil and Gas Applications: Role of Modeling and Simulation. In: Jin, C., Cusatis, G. (eds) New Frontiers in Oil and Gas Exploration. Springer, Cham. https://doi.org/10.1007/978-3-319-40124-9_8

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  • DOI: https://doi.org/10.1007/978-3-319-40124-9_8

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  • Online ISBN: 978-3-319-40124-9

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