Molecular Basis for Carbon Dioxide Sequestration in Coal

Thomas J. Dick, Orlando Acevedo, Pranav Dalal, Jeffry D. Madura, Jeffrey D. Evanseck, Jonathan P. Mathews

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Sequestration of CO2 within coal seams has been suggested to mitigate climate change. Computational molecular modeling was used to study the forces involved between bituminous coal structure and the molecular species CH4 and CO2. The molecular computations and simulations provided useful information on accessible pore volumes, energy of interactions between host and guest molecules, self-diffusion coefficients, identification of likely sorption sits, impact of CO2 sorption/CH4 exchange upon the coal matrix, and competitive adsorption isotherms. New opportunities in the optimization and gaseous management necessary for low-cost forms of CO2 sequestration would result from this novel procedure.

Original languageEnglish (US)
Pages (from-to)14-16
Number of pages3
JournalAm Chem Soc Div Fuel Chem Prepr
Volume47
Issue number1
StatePublished - Mar 2002

Fingerprint

Sorption
Carbon dioxide
Coal
Molecular modeling
Bituminous coal
Adsorption isotherms
Climate change
Molecules
Costs

All Science Journal Classification (ASJC) codes

  • Energy(all)

Cite this

Dick, T. J., Acevedo, O., Dalal, P., Madura, J. D., Evanseck, J. D., & Mathews, J. P. (2002). Molecular Basis for Carbon Dioxide Sequestration in Coal. Am Chem Soc Div Fuel Chem Prepr, 47(1), 14-16.
Dick, Thomas J. ; Acevedo, Orlando ; Dalal, Pranav ; Madura, Jeffry D. ; Evanseck, Jeffrey D. ; Mathews, Jonathan P. / Molecular Basis for Carbon Dioxide Sequestration in Coal. In: Am Chem Soc Div Fuel Chem Prepr. 2002 ; Vol. 47, No. 1. pp. 14-16.
@article{0e6ba2f6c2d5406bb39d52994651b43f,
title = "Molecular Basis for Carbon Dioxide Sequestration in Coal",
abstract = "Sequestration of CO2 within coal seams has been suggested to mitigate climate change. Computational molecular modeling was used to study the forces involved between bituminous coal structure and the molecular species CH4 and CO2. The molecular computations and simulations provided useful information on accessible pore volumes, energy of interactions between host and guest molecules, self-diffusion coefficients, identification of likely sorption sits, impact of CO2 sorption/CH4 exchange upon the coal matrix, and competitive adsorption isotherms. New opportunities in the optimization and gaseous management necessary for low-cost forms of CO2 sequestration would result from this novel procedure.",
author = "Dick, {Thomas J.} and Orlando Acevedo and Pranav Dalal and Madura, {Jeffry D.} and Evanseck, {Jeffrey D.} and Mathews, {Jonathan P.}",
year = "2002",
month = "3",
language = "English (US)",
volume = "47",
pages = "14--16",
journal = "Am Chem Soc Div Fuel Chem Prepr",
issn = "0569-3772",
number = "1",

}

Dick, TJ, Acevedo, O, Dalal, P, Madura, JD, Evanseck, JD & Mathews, JP 2002, 'Molecular Basis for Carbon Dioxide Sequestration in Coal', Am Chem Soc Div Fuel Chem Prepr, vol. 47, no. 1, pp. 14-16.

Molecular Basis for Carbon Dioxide Sequestration in Coal. / Dick, Thomas J.; Acevedo, Orlando; Dalal, Pranav; Madura, Jeffry D.; Evanseck, Jeffrey D.; Mathews, Jonathan P.

In: Am Chem Soc Div Fuel Chem Prepr, Vol. 47, No. 1, 03.2002, p. 14-16.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Molecular Basis for Carbon Dioxide Sequestration in Coal

AU - Dick, Thomas J.

AU - Acevedo, Orlando

AU - Dalal, Pranav

AU - Madura, Jeffry D.

AU - Evanseck, Jeffrey D.

AU - Mathews, Jonathan P.

PY - 2002/3

Y1 - 2002/3

N2 - Sequestration of CO2 within coal seams has been suggested to mitigate climate change. Computational molecular modeling was used to study the forces involved between bituminous coal structure and the molecular species CH4 and CO2. The molecular computations and simulations provided useful information on accessible pore volumes, energy of interactions between host and guest molecules, self-diffusion coefficients, identification of likely sorption sits, impact of CO2 sorption/CH4 exchange upon the coal matrix, and competitive adsorption isotherms. New opportunities in the optimization and gaseous management necessary for low-cost forms of CO2 sequestration would result from this novel procedure.

AB - Sequestration of CO2 within coal seams has been suggested to mitigate climate change. Computational molecular modeling was used to study the forces involved between bituminous coal structure and the molecular species CH4 and CO2. The molecular computations and simulations provided useful information on accessible pore volumes, energy of interactions between host and guest molecules, self-diffusion coefficients, identification of likely sorption sits, impact of CO2 sorption/CH4 exchange upon the coal matrix, and competitive adsorption isotherms. New opportunities in the optimization and gaseous management necessary for low-cost forms of CO2 sequestration would result from this novel procedure.

UR - http://www.scopus.com/inward/record.url?scp=0344551951&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0344551951&partnerID=8YFLogxK

M3 - Article

VL - 47

SP - 14

EP - 16

JO - Am Chem Soc Div Fuel Chem Prepr

JF - Am Chem Soc Div Fuel Chem Prepr

SN - 0569-3772

IS - 1

ER -

Dick TJ, Acevedo O, Dalal P, Madura JD, Evanseck JD, Mathews JP. Molecular Basis for Carbon Dioxide Sequestration in Coal. Am Chem Soc Div Fuel Chem Prepr. 2002 Mar;47(1):14-16.