Molecular-to-process level approaches to advancing carbon capture and storage

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Abstract/Contents

Abstract
The current work includes two projects which are quite different in application, discipline, and method, but connected in general motivation to improve carbon capture and storage (CCS) and promote cross-disciplinary, multi-scale research. The need to reduce carbon dioxide (CO2) emissions is one of the most significant environmental challenges facing society. CCS has the potential to mitigate gigatons (Gt) of anthropogenic CO2 emissions, and is regarded as a key method for global-scale CO2 emissions reduction. Improving the economic and environmental viability of CCS technologies will require the collaboration of researchers across disciplines and scales. The current work addresses the need for cross-disciplinary research by synthesizing interdisciplinary research from the molecular- to the process-scale. The first project includes a fundamental, molecular-level investigation of CO2 adsorption dynamics in carbon sorbents, with the aim of applying results to process optimization models. Understanding CO2 adsorption and transport is crucial to the development of successful carbon capture technologies, as well as other applications such as CO2 sequestration. This work investigates the use of an improved potential model to directly treat CO2 electrostatic and geometric properties, thereby more accurately describing the fluid-fluid and fluid-wall interactions which determine adsorption capacity and dynamics. CO2 interactions with pure and hydroxyl-functionalized slit and step carbon pores are simulated to investigate pore entrance effects and tradeoffs between pore size, chemistry, capacity, and transport. Furthermore, the molecular simulation results are linked to the process scale through a parametric study using a finite volume based adsorption process simulator, to investigate the potential impact of kinetic parameters on PSA-based carbon capture processes. The second project includes a high-level evaluation of the life-cycle energy efficiency of various proposed mineral carbonation processes. This study builds a holistic, transparent life-cycle assessment model of a variety of aqueous mineral carbonation processes using a hybrid process model and economic input-output life-cycle assessment approach (hybrid EIO-LCA). The model incorporates reaction chemistry to allow for a systematic investigation of the tradeoffs inherent in carbonation processes. The investigation of such tradeoffs can provide guidance for the optimization of the life-cycle energy efficiency of various proposed mineral carbonation processes.

Description

Type of resource text
Form electronic; electronic resource; remote
Extent 1 online resource.
Publication date 2013
Issuance monographic
Language English

Creators/Contributors

Associated with Kirchofer, Abby
Associated with Stanford University, Program in Earth, Energy and Environmental Sciences.
Primary advisor Wilcox, Jennifer, 1976-
Thesis advisor Wilcox, Jennifer, 1976-
Thesis advisor Brandt, Adam (Adam R.)
Thesis advisor Pitera, Jed, 1973-
Advisor Brandt, Adam (Adam R.)
Advisor Pitera, Jed, 1973-

Subjects

Genre Theses

Bibliographic information

Statement of responsibility Abby Kirchofer.
Note Submitted to the Program in Earth, Energy and Environmental Sciences.
Thesis Thesis (Ph.D.)--Stanford University, 2013.
Location electronic resource

Access conditions

Copyright
© 2013 by Abigail Harris Kirchofer
License
This work is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported license (CC BY-NC).

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