Effect of Molecular Structure on the CO2 Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units

Thompson, Robert L.; Culp, Jeff; Tiwari, Surya P.; Basha, Omar; Shi, Wei; Damodaran, Krishnan; Resnik, Kevin; Siefert, Nick; Hopkinson, David

doi:10.1021/acs.energyfuels.9b00500

Title: Effect of Molecular Structure on the CO₂ Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units

Abstract

This work describes the preparation of a set of nine new novel hydrophobic PEG-substituted solvents. These solvents include linear, T-shaped, and disubstituted conformations of the PEG grafted with PDMS molecule. The effect of changing both the molecular conformation and length of PEG side arm on the physical properties and CO₂ absorption capacity was studied. These solvents are intended for separation of CO₂ and H₂ in precombustion CO₂ capture and are intended to replace the current-state-of-the-art glycol-based solvents and operate at a higher temperature. In conclusion, the properties of the disubstituted solvents are exceptionally well suited for precombustion CO₂ capture applications because of their hydrophobicity, high CO₂ solubility, low evaporation rate, and lack of foaming.

Authors:

^[1]; Culp, Jeff ^[1]; Tiwari, Surya P. ^[1];

^[2];

^[1]; Damodaran, Krishnan ^[3]; Resnik, Kevin ^[1]; Siefert, Nick ^[1]; Hopkinson, David ^[1]

National Energy Technology Lab. (NETL), Pittsburgh, PA (United States)
Univ. of Pittsburgh, Pittsburgh, PA (United States). Dept. of Chemical Engineering
Univ. of Pittsburgh, Pittsburgh, PA (United States). Dept. of Chemistry, Chevron Science Center

Publication Date:: Thu Apr 11 00:00:00 EDT 2019

Research Org.:: National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)

Sponsoring Org.:: USDOE Office of Fossil Energy (FE)

OSTI Identifier:: 1573899

Resource Type:: Accepted Manuscript

Journal Name:: Energy and Fuels

Additional Journal Information:: Journal Volume: 33; Journal Issue: 5; Journal ID: ISSN 0887-0624

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Thompson, Robert L., Culp, Jeff, Tiwari, Surya P., Basha, Omar, Shi, Wei, Damodaran, Krishnan, Resnik, Kevin, Siefert, Nick, and Hopkinson, David. Effect of Molecular Structure on the CO2 Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units.  United States: N. p., 2019. 
Web.  doi:10.1021/acs.energyfuels.9b00500.

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                    Thompson, Robert L., Culp, Jeff, Tiwari, Surya P., Basha, Omar, Shi, Wei, Damodaran, Krishnan, Resnik, Kevin, Siefert, Nick, & Hopkinson, David. Effect of Molecular Structure on the CO2 Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units.  United States.  https://doi.org/10.1021/acs.energyfuels.9b00500

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                    Thompson, Robert L., Culp, Jeff, Tiwari, Surya P., Basha, Omar, Shi, Wei, Damodaran, Krishnan, Resnik, Kevin, Siefert, Nick, and Hopkinson, David. Thu .  
"Effect of Molecular Structure on the CO2 Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units".  United States.  https://doi.org/10.1021/acs.energyfuels.9b00500.  https://www.osti.gov/servlets/purl/1573899.

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@article{osti_1573899,

  title        = {Effect of Molecular Structure on the CO2 Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units},

  author       = {Thompson, Robert L. and Culp, Jeff and Tiwari, Surya P. and Basha, Omar and Shi, Wei and Damodaran, Krishnan and Resnik, Kevin and Siefert, Nick and Hopkinson, David},

  abstractNote = {This work describes the preparation of a set of nine new novel hydrophobic PEG-substituted solvents. These solvents include linear, T-shaped, and disubstituted conformations of the PEG grafted with PDMS molecule. The effect of changing both the molecular conformation and length of PEG side arm on the physical properties and CO2 absorption capacity was studied. These solvents are intended for separation of CO2 and H2 in precombustion CO2 capture and are intended to replace the current-state-of-the-art glycol-based solvents and operate at a higher temperature. In conclusion, the properties of the disubstituted solvents are exceptionally well suited for precombustion CO2 capture applications because of their hydrophobicity, high CO2 solubility, low evaporation rate, and lack of foaming.},

  doi          = {10.1021/acs.energyfuels.9b00500},

  journal      = {Energy and Fuels},

  number       = 5,

  volume       = 33,

  place        = {United States},

  year         = {Thu Apr 11 00:00:00 EDT 2019},

  month        = {Thu Apr 11 00:00:00 EDT 2019}

}

Copy to clipboard

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https://doi.org/10.1021/acs.energyfuels.9b00500

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Title: Effect of Molecular Structure on the CO2 Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units

Abstract

Citation Formats

Advances in CO2 capture technology—The U.S. Department of Energy's Carbon Sequestration Program journal, January 2008

CO2 Capture and Storage journal, September 2006

Process design for CO 2 absorption from syngas using physical solvent DMEPEG journal, June 2016

Baseline Flowsheet Model for IGCC with Carbon Capture journal, October 2011

Developments in the pre-combustion CO2 capture pilot plant at the Buggenum IGCC journal, January 2011

Review, modeling, Heat Integration, and improved schemes of Rectisol®-based processes for CO2 capture journal, September 2014

Enhanced CO 2 Separation Selectivity in Oligo(ethylene glycol) Functionalized Room-Temperature Ionic Liquids journal, August 2007

Properties and Performance of Ether-Functionalized Imidazoles as Physical Solvents for CO 2 Separations journal, May 2013

Properties of Alkylimidazoles as Solvents for CO 2 Capture and Comparisons to Imidazolium-Based Ionic Liquids journal, July 2011

Foaming model for CO2 absorption process using aqueous monoethanolamine solutions journal, October 2009

Metal colloid morphology and catalytic activity: Further proof of the intermediacy of colloids in the platinum-catalyzed hydrosilylation reaction journal, January 1991

Mechanistic studies of platinum-catalyzed hydrosilylation journal, September 1991

Hydrophobic physical solvents for pre-combustion CO2 capture: Experiments, computational simulations, and techno-economic analysis journal, June 2016

Synthesis and Characterization of Tetra- and Trisiloxane-Containing Oligo(ethylene glycol)s Highly Conducting Electrolytes for Lithium Batteries journal, March 2006

Poly-ether modified siloxanes as electrolyte additives for rechargeable lithium cells journal, October 2006

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Solubilities and Diffusivities of Carbon Dioxide in Ionic Liquids: [bmim][PF 6 ] and [bmim][BF 4 ] journal, June 2005

Development of a Conceptual Process for Selective Capture of CO 2 from Fuel Gas Streams Using Two TEGO Ionic Liquids as Physical Solvents journal, February 2014

Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis journal, April 1990

Molecular Simulations of the Thermophysical Properties of Polyethylene Glycol Siloxane (PEGS) Solvent for Precombustion CO 2 Capture journal, September 2016

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Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds journal, September 2003

Gas solubility, diffusivity and permeability in poly(ethylene oxide) journal, August 2004

A critical review of free volume and occupied volume calculation methods journal, November 2016

Materials selection guidelines for membranes that remove CO2 from gas mixtures journal, April 2005

Direct Human Contact with Siloxanes (Silicones) – Safety or Risk Part 1. Characteristics of Siloxanes (Silicones) journal, May 2016

Performance of Siloxane Mixtures in a High-Temperature Organic Rankine Cycle Considering the Heat Transfer Characteristics during Evaporation journal, August 2014

Multiparameter equations of state for selected siloxanes journal, June 2006

HEXAMETHYLDISILOXANE: CHEMICAL THERMODYNAMIC PROPERTIES AND INTERNAL ROTATION ABOUT THE SILOXANE LINKAGE 1 journal, August 1961

Molecular Simulations and Experimental Studies of Solubility and Diffusivity for Pure and Mixed Gases of H 2 , CO 2 , and Ar Absorbed in the Ionic Liquid 1- n -Hexyl-3-methylimidazolium Bis(Trifluoromethylsulfonyl)amide ([hmim][Tf 2 N]) journal, May 2010

Influence of hydrophobic particles on the foaming of aqueous surfactant solutions journal, September 1986

Effect of Long Chain Alcohols on Micellar Relaxation Time and Foaming Properties of Sodium Dodecyl Sulfate Solutions journal, December 1998

Relationship between foaming properties and solution properties of protein/nonionic surfactant mixtures journal, October 2000

Investigations on foam journal, May 1937

Questions in Fluid Mechanics: Understanding Foams and Foaming journal, September 1997

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Advances in CO₂ capture technology—The U.S. Department of Energy's Carbon Sequestration Program
journal, January 2008

CO2 Capture and Storage
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Process design for CO 2 absorption from syngas using physical solvent DMEPEG
journal, June 2016

Baseline Flowsheet Model for IGCC with Carbon Capture
journal, October 2011

Developments in the pre-combustion CO2 capture pilot plant at the Buggenum IGCC
journal, January 2011

Review, modeling, Heat Integration, and improved schemes of Rectisol®-based processes for CO2 capture
journal, September 2014

Enhanced CO ₂ Separation Selectivity in Oligo(ethylene glycol) Functionalized Room-Temperature Ionic Liquids
journal, August 2007

Properties and Performance of Ether-Functionalized Imidazoles as Physical Solvents for CO ₂ Separations
journal, May 2013

Properties of Alkylimidazoles as Solvents for CO ₂ Capture and Comparisons to Imidazolium-Based Ionic Liquids
journal, July 2011

Foaming model for CO2 absorption process using aqueous monoethanolamine solutions
journal, October 2009

Metal colloid morphology and catalytic activity: Further proof of the intermediacy of colloids in the platinum-catalyzed hydrosilylation reaction
journal, January 1991

Mechanistic studies of platinum-catalyzed hydrosilylation
journal, September 1991

Hydrophobic physical solvents for pre-combustion CO2 capture: Experiments, computational simulations, and techno-economic analysis
journal, June 2016

Synthesis and Characterization of Tetra- and Trisiloxane-Containing Oligo(ethylene glycol)s Highly Conducting Electrolytes for Lithium Batteries
journal, March 2006

Poly-ether modified siloxanes as electrolyte additives for rechargeable lithium cells
journal, October 2006

Solubility and diffusivity of hydrofluorocarbons in room-temperature ionic liquids
journal, January 2006

Solubilities and Diffusivities of Carbon Dioxide in Ionic Liquids: [bmim][PF ₆ ] and [bmim][BF ₄ ]
journal, June 2005

Development of a Conceptual Process for Selective Capture of CO ₂ from Fuel Gas Streams Using Two TEGO Ionic Liquids as Physical Solvents
journal, February 2014

Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
journal, April 1990

Molecular Simulations of the Thermophysical Properties of Polyethylene Glycol Siloxane (PEGS) Solvent for Precombustion CO ₂ Capture
journal, September 2016

Theoretical and Experimental Studies of CO ₂ and H ₂ Separation Using the 1-Ethyl-3-methylimidazolium Acetate ([emim][CH ₃ COO]) Ionic Liquid
journal, December 2011

Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds
journal, September 2003

Gas solubility, diffusivity and permeability in poly(ethylene oxide)
journal, August 2004

A critical review of free volume and occupied volume calculation methods
journal, November 2016

Materials selection guidelines for membranes that remove CO₂ from gas mixtures
journal, April 2005

Direct Human Contact with Siloxanes (Silicones) – Safety or Risk Part 1. Characteristics of Siloxanes (Silicones)
journal, May 2016

Performance of Siloxane Mixtures in a High-Temperature Organic Rankine Cycle Considering the Heat Transfer Characteristics during Evaporation
journal, August 2014

Multiparameter equations of state for selected siloxanes
journal, June 2006

HEXAMETHYLDISILOXANE: CHEMICAL THERMODYNAMIC PROPERTIES AND INTERNAL ROTATION ABOUT THE SILOXANE LINKAGE ¹
journal, August 1961

Molecular Simulations and Experimental Studies of Solubility and Diffusivity for Pure and Mixed Gases of H ₂ , CO ₂ , and Ar Absorbed in the Ionic Liquid 1- n -Hexyl-3-methylimidazolium Bis(Trifluoromethylsulfonyl)amide ([hmim][Tf ₂ N])
journal, May 2010

Influence of hydrophobic particles on the foaming of aqueous surfactant solutions
journal, September 1986

Effect of Long Chain Alcohols on Micellar Relaxation Time and Foaming Properties of Sodium Dodecyl Sulfate Solutions
journal, December 1998

Relationship between foaming properties and solution properties of protein/nonionic surfactant mixtures
journal, October 2000

Investigations on foam
journal, May 1937

Questions in Fluid Mechanics: Understanding Foams and Foaming
journal, September 1997

Is the Ether Group Hydrophilic or Hydrophobic?
journal, March 2005

Steady-State Thickness of Liquid–Gas Foams
journal, October 2001

Model Development of Slag Foaming.
journal, January 1998