A Molecular Description of Hydrogel Forming Polymers for Cement-Based Printing Paste Applications

Hajar Taheri-Afarani; Eugene Mamontov; William R. Carroll; Joseph J. Biernacki

doi:10.3390/gels8090592

A Molecular Description of Hydrogel Forming Polymers for Cement-Based Printing Paste Applications

Hajar Taheri-Afarani, Eugene Mamontov, William R. Carroll, Joseph J. Biernacki

Chemical Spectroscopy

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

This research endeavors to link the physical and chemical characteristics of select polymer hydrogels to differences in printability when used as printing aids in cement-based printing pastes. A variety of experimental probes including differential scanning calorimetry (DSC), NMR-diffusion ordered spectroscopy (DOSY), quasi-elastic neutron scattering (QENS) using neutron backscattering spectroscopy, and X-ray powder diffraction (XRD), along with molecular dynamic simulations, were used. Conjectures based on objective measures of printability and physical and chemical-molecular characteristics of the polymer gels are emerging that should help target printing aid selection and design, and mix formulation. Molecular simulations were shown to link higher hydrogen bond probability and larger radius of gyration to higher viscosity gels. Furthermore, the higher viscosity gels also produced higher elastic properties, as measured by neutron backscattering spectroscopy.

Original language	English
Article number	592
Journal	Gels
Volume	8
Issue number	9
DOIs	https://doi.org/10.3390/gels8090592
State	Published - Sep 2022

Funding

This research was funded by the US National Science Foundation (NSF), grant number CMMI-15631 and the Tennessee Technological University (TTU) Center for Manufacturing Research (CMR). The neutron scattering experiments at Oak Ridge National Laboratory’s (ORNL’s) Spallation Neutron Source (SNS) were supported by the Scientific User Facilities Division, Office of Science (Basic Energy Sciences), U.S. Department of Energy (DOE).

Funders	Funder number
Center for Manufacturing Research
Scientific User Facilities Division
National Science Foundation	CMMI-15631
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Oak Ridge National Laboratory
Tennessee Tech University

Keywords

3D printing
NMR
Portland
additive manufacturing
admixture
cement
gel
hydrogel
modeling
molecular dynamics
neutron scattering

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.3390/gels8090592

Cite this

@article{3c5c1abd70ab441ba5768aa8ad74255b,

title = "A Molecular Description of Hydrogel Forming Polymers for Cement-Based Printing Paste Applications",

abstract = "This research endeavors to link the physical and chemical characteristics of select polymer hydrogels to differences in printability when used as printing aids in cement-based printing pastes. A variety of experimental probes including differential scanning calorimetry (DSC), NMR-diffusion ordered spectroscopy (DOSY), quasi-elastic neutron scattering (QENS) using neutron backscattering spectroscopy, and X-ray powder diffraction (XRD), along with molecular dynamic simulations, were used. Conjectures based on objective measures of printability and physical and chemical-molecular characteristics of the polymer gels are emerging that should help target printing aid selection and design, and mix formulation. Molecular simulations were shown to link higher hydrogen bond probability and larger radius of gyration to higher viscosity gels. Furthermore, the higher viscosity gels also produced higher elastic properties, as measured by neutron backscattering spectroscopy.",

keywords = "3D printing, NMR, Portland, additive manufacturing, admixture, cement, gel, hydrogel, modeling, molecular dynamics, neutron scattering",

author = "Hajar Taheri-Afarani and Eugene Mamontov and Carroll, {William R.} and Biernacki, {Joseph J.}",

note = "Publisher Copyright: {\textcopyright} 2022 by the authors.",

year = "2022",

month = sep,

doi = "10.3390/gels8090592",

language = "English",

volume = "8",

journal = "Gels",

issn = "2310-2861",

publisher = "MDPI",

number = "9",

}

TY - JOUR

T1 - A Molecular Description of Hydrogel Forming Polymers for Cement-Based Printing Paste Applications

AU - Taheri-Afarani, Hajar

AU - Mamontov, Eugene

AU - Carroll, William R.

AU - Biernacki, Joseph J.

PY - 2022/9

Y1 - 2022/9

N2 - This research endeavors to link the physical and chemical characteristics of select polymer hydrogels to differences in printability when used as printing aids in cement-based printing pastes. A variety of experimental probes including differential scanning calorimetry (DSC), NMR-diffusion ordered spectroscopy (DOSY), quasi-elastic neutron scattering (QENS) using neutron backscattering spectroscopy, and X-ray powder diffraction (XRD), along with molecular dynamic simulations, were used. Conjectures based on objective measures of printability and physical and chemical-molecular characteristics of the polymer gels are emerging that should help target printing aid selection and design, and mix formulation. Molecular simulations were shown to link higher hydrogen bond probability and larger radius of gyration to higher viscosity gels. Furthermore, the higher viscosity gels also produced higher elastic properties, as measured by neutron backscattering spectroscopy.

AB - This research endeavors to link the physical and chemical characteristics of select polymer hydrogels to differences in printability when used as printing aids in cement-based printing pastes. A variety of experimental probes including differential scanning calorimetry (DSC), NMR-diffusion ordered spectroscopy (DOSY), quasi-elastic neutron scattering (QENS) using neutron backscattering spectroscopy, and X-ray powder diffraction (XRD), along with molecular dynamic simulations, were used. Conjectures based on objective measures of printability and physical and chemical-molecular characteristics of the polymer gels are emerging that should help target printing aid selection and design, and mix formulation. Molecular simulations were shown to link higher hydrogen bond probability and larger radius of gyration to higher viscosity gels. Furthermore, the higher viscosity gels also produced higher elastic properties, as measured by neutron backscattering spectroscopy.

KW - 3D printing

KW - NMR

KW - Portland

KW - additive manufacturing

KW - admixture

KW - cement

KW - gel

KW - hydrogel

KW - modeling

KW - molecular dynamics

KW - neutron scattering

UR - http://www.scopus.com/inward/record.url?scp=85138708175&partnerID=8YFLogxK

U2 - 10.3390/gels8090592

DO - 10.3390/gels8090592

M3 - Article

AN - SCOPUS:85138708175

SN - 2310-2861

VL - 8

JO - Gels

JF - Gels

IS - 9

M1 - 592

ER -

A Molecular Description of Hydrogel Forming Polymers for Cement-Based Printing Paste Applications

Abstract

Funding

Keywords

UN SDGs

Access to Document

Other files and links

Fingerprint

Cite this