Carbonization of cellulose fibre precursors

experimental and modelling efforts

Pirjo Heikkilä, Kyösti Valta, Marianna Vehviläinen, Taina Kamppuri, Olli Orell, Markus Kakkonen, Antti T. Pasanen, Mari Honkanen, Antti Paajanen, Tatu Pinomaa, Jukka Vaari, Minnamari Vippola, Jyrki Vuorinen, Ali Harlin

Research output: Contribution to conferenceConference articleScientific

Abstract

Cellulose was first precursor fibre material used for production of carbon fibres. It has been in many application replaced with polyacrylonitrile (PAN) and isotropic pitch, especially in high modulus applications. However, cellulose and more precisely viscose (rayon) has still remained some markets due to beneficial properties including good thermal stability of resulted fibres and low price of raw material. Additional attractive feature is its renewability and bio-based origin. We have studied use of cellulosic fibres for production of carbon fibres. Our premise was that nitrogen content of cellulose carbamate fibres may be beneficial for the carbonization result. In experimental part we used wet-spun non-viscose fibres from enzymatically treated dissolved cellulose, so called BioCellSol cellulose and nitrogen containing cellulose carbamate. We studied use of various chemical agents, (NH4)2HPO4, H2SO4, and NH4Cl, in order to increase low carbon yield, and produced carbon and activated carbon materials. In order to obtain better understanding of carbonization of cellulose we performed reactive molecular dynamics simulations. In this presentation we review work carried out and results obtained within this study. In experimental study we learned for example, that carbon yield obtained with different impregnation agents (14 -21 %) was significantly higher than of non-treated reference (10%), best results obtained with (NH4)2HPO4. Strength of the obtained fibres was not as good as needed for load-bearing composite applications since we were not able to apply sufficient tensioning. However, coherent activated carbon fibres and nonwovens were obtained and they could be used e.g. for water purification and removal of odours from gas flow. Modelling efforts indicated that carbamation of cellulose is beneficial for both carbon yield in terms of carbon amount, and carbon quality in terms of amount carbon rings formed. This work was carried out in Bio-Based Tailored Precursors for Advanced Carbons and Applications (BioPreCarb) project funded by Tekes - the Finnish Funding Agency for Innovation, VTT Technical Research Centre of Finland and Tampere University of Technology. Project was aiming for review possibilities to create bio-based carbon business in Finland.
Original languageEnglish
Publication statusPublished - 2015
EventAnnual World Conference on Carbon: Innovation with Carbon Materials, CARBON 2015 - Dresden, Germany
Duration: 12 Jul 201517 Jul 2015

Conference

ConferenceAnnual World Conference on Carbon
Abbreviated titleCARBON 2015
CountryGermany
CityDresden
Period12/07/1517/07/15

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cellulosic fibers
cellulose
carbon
carbamates
activated carbon
Finland
polyacrylonitrile
rayon
water purification
carbonization
molecular dynamics
thermal stability
funding
nitrogen content
raw materials
odors
gases
markets

Cite this

Heikkilä, P., Valta, K., Vehviläinen, M., Kamppuri, T., Orell, O., Kakkonen, M., ... Harlin, A. (2015). Carbonization of cellulose fibre precursors: experimental and modelling efforts. Paper presented at Annual World Conference on Carbon, Dresden, Germany.
Heikkilä, Pirjo ; Valta, Kyösti ; Vehviläinen, Marianna ; Kamppuri, Taina ; Orell, Olli ; Kakkonen, Markus ; Pasanen, Antti T. ; Honkanen, Mari ; Paajanen, Antti ; Pinomaa, Tatu ; Vaari, Jukka ; Vippola, Minnamari ; Vuorinen, Jyrki ; Harlin, Ali. / Carbonization of cellulose fibre precursors : experimental and modelling efforts. Paper presented at Annual World Conference on Carbon, Dresden, Germany.
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title = "Carbonization of cellulose fibre precursors: experimental and modelling efforts",
abstract = "Cellulose was first precursor fibre material used for production of carbon fibres. It has been in many application replaced with polyacrylonitrile (PAN) and isotropic pitch, especially in high modulus applications. However, cellulose and more precisely viscose (rayon) has still remained some markets due to beneficial properties including good thermal stability of resulted fibres and low price of raw material. Additional attractive feature is its renewability and bio-based origin. We have studied use of cellulosic fibres for production of carbon fibres. Our premise was that nitrogen content of cellulose carbamate fibres may be beneficial for the carbonization result. In experimental part we used wet-spun non-viscose fibres from enzymatically treated dissolved cellulose, so called BioCellSol cellulose and nitrogen containing cellulose carbamate. We studied use of various chemical agents, (NH4)2HPO4, H2SO4, and NH4Cl, in order to increase low carbon yield, and produced carbon and activated carbon materials. In order to obtain better understanding of carbonization of cellulose we performed reactive molecular dynamics simulations. In this presentation we review work carried out and results obtained within this study. In experimental study we learned for example, that carbon yield obtained with different impregnation agents (14 -21 {\%}) was significantly higher than of non-treated reference (10{\%}), best results obtained with (NH4)2HPO4. Strength of the obtained fibres was not as good as needed for load-bearing composite applications since we were not able to apply sufficient tensioning. However, coherent activated carbon fibres and nonwovens were obtained and they could be used e.g. for water purification and removal of odours from gas flow. Modelling efforts indicated that carbamation of cellulose is beneficial for both carbon yield in terms of carbon amount, and carbon quality in terms of amount carbon rings formed. This work was carried out in Bio-Based Tailored Precursors for Advanced Carbons and Applications (BioPreCarb) project funded by Tekes - the Finnish Funding Agency for Innovation, VTT Technical Research Centre of Finland and Tampere University of Technology. Project was aiming for review possibilities to create bio-based carbon business in Finland.",
author = "Pirjo Heikkil{\"a} and Ky{\"o}sti Valta and Marianna Vehvil{\"a}inen and Taina Kamppuri and Olli Orell and Markus Kakkonen and Pasanen, {Antti T.} and Mari Honkanen and Antti Paajanen and Tatu Pinomaa and Jukka Vaari and Minnamari Vippola and Jyrki Vuorinen and Ali Harlin",
note = "LIS: Abstract rev. + pub. ; Annual World Conference on Carbon : Innovation with Carbon Materials, CARBON 2015 , CARBON 2015 ; Conference date: 12-07-2015 Through 17-07-2015",
year = "2015",
language = "English",

}

Heikkilä, P, Valta, K, Vehviläinen, M, Kamppuri, T, Orell, O, Kakkonen, M, Pasanen, AT, Honkanen, M, Paajanen, A, Pinomaa, T, Vaari, J, Vippola, M, Vuorinen, J & Harlin, A 2015, 'Carbonization of cellulose fibre precursors: experimental and modelling efforts' Paper presented at Annual World Conference on Carbon, Dresden, Germany, 12/07/15 - 17/07/15, .

Carbonization of cellulose fibre precursors : experimental and modelling efforts. / Heikkilä, Pirjo; Valta, Kyösti; Vehviläinen, Marianna; Kamppuri, Taina; Orell, Olli; Kakkonen, Markus; Pasanen, Antti T.; Honkanen, Mari; Paajanen, Antti; Pinomaa, Tatu; Vaari, Jukka; Vippola, Minnamari; Vuorinen, Jyrki; Harlin, Ali.

2015. Paper presented at Annual World Conference on Carbon, Dresden, Germany.

Research output: Contribution to conferenceConference articleScientific

TY - CONF

T1 - Carbonization of cellulose fibre precursors

T2 - experimental and modelling efforts

AU - Heikkilä, Pirjo

AU - Valta, Kyösti

AU - Vehviläinen, Marianna

AU - Kamppuri, Taina

AU - Orell, Olli

AU - Kakkonen, Markus

AU - Pasanen, Antti T.

AU - Honkanen, Mari

AU - Paajanen, Antti

AU - Pinomaa, Tatu

AU - Vaari, Jukka

AU - Vippola, Minnamari

AU - Vuorinen, Jyrki

AU - Harlin, Ali

N1 - LIS: Abstract rev. + pub.

PY - 2015

Y1 - 2015

N2 - Cellulose was first precursor fibre material used for production of carbon fibres. It has been in many application replaced with polyacrylonitrile (PAN) and isotropic pitch, especially in high modulus applications. However, cellulose and more precisely viscose (rayon) has still remained some markets due to beneficial properties including good thermal stability of resulted fibres and low price of raw material. Additional attractive feature is its renewability and bio-based origin. We have studied use of cellulosic fibres for production of carbon fibres. Our premise was that nitrogen content of cellulose carbamate fibres may be beneficial for the carbonization result. In experimental part we used wet-spun non-viscose fibres from enzymatically treated dissolved cellulose, so called BioCellSol cellulose and nitrogen containing cellulose carbamate. We studied use of various chemical agents, (NH4)2HPO4, H2SO4, and NH4Cl, in order to increase low carbon yield, and produced carbon and activated carbon materials. In order to obtain better understanding of carbonization of cellulose we performed reactive molecular dynamics simulations. In this presentation we review work carried out and results obtained within this study. In experimental study we learned for example, that carbon yield obtained with different impregnation agents (14 -21 %) was significantly higher than of non-treated reference (10%), best results obtained with (NH4)2HPO4. Strength of the obtained fibres was not as good as needed for load-bearing composite applications since we were not able to apply sufficient tensioning. However, coherent activated carbon fibres and nonwovens were obtained and they could be used e.g. for water purification and removal of odours from gas flow. Modelling efforts indicated that carbamation of cellulose is beneficial for both carbon yield in terms of carbon amount, and carbon quality in terms of amount carbon rings formed. This work was carried out in Bio-Based Tailored Precursors for Advanced Carbons and Applications (BioPreCarb) project funded by Tekes - the Finnish Funding Agency for Innovation, VTT Technical Research Centre of Finland and Tampere University of Technology. Project was aiming for review possibilities to create bio-based carbon business in Finland.

AB - Cellulose was first precursor fibre material used for production of carbon fibres. It has been in many application replaced with polyacrylonitrile (PAN) and isotropic pitch, especially in high modulus applications. However, cellulose and more precisely viscose (rayon) has still remained some markets due to beneficial properties including good thermal stability of resulted fibres and low price of raw material. Additional attractive feature is its renewability and bio-based origin. We have studied use of cellulosic fibres for production of carbon fibres. Our premise was that nitrogen content of cellulose carbamate fibres may be beneficial for the carbonization result. In experimental part we used wet-spun non-viscose fibres from enzymatically treated dissolved cellulose, so called BioCellSol cellulose and nitrogen containing cellulose carbamate. We studied use of various chemical agents, (NH4)2HPO4, H2SO4, and NH4Cl, in order to increase low carbon yield, and produced carbon and activated carbon materials. In order to obtain better understanding of carbonization of cellulose we performed reactive molecular dynamics simulations. In this presentation we review work carried out and results obtained within this study. In experimental study we learned for example, that carbon yield obtained with different impregnation agents (14 -21 %) was significantly higher than of non-treated reference (10%), best results obtained with (NH4)2HPO4. Strength of the obtained fibres was not as good as needed for load-bearing composite applications since we were not able to apply sufficient tensioning. However, coherent activated carbon fibres and nonwovens were obtained and they could be used e.g. for water purification and removal of odours from gas flow. Modelling efforts indicated that carbamation of cellulose is beneficial for both carbon yield in terms of carbon amount, and carbon quality in terms of amount carbon rings formed. This work was carried out in Bio-Based Tailored Precursors for Advanced Carbons and Applications (BioPreCarb) project funded by Tekes - the Finnish Funding Agency for Innovation, VTT Technical Research Centre of Finland and Tampere University of Technology. Project was aiming for review possibilities to create bio-based carbon business in Finland.

M3 - Conference article

ER -

Heikkilä P, Valta K, Vehviläinen M, Kamppuri T, Orell O, Kakkonen M et al. Carbonization of cellulose fibre precursors: experimental and modelling efforts. 2015. Paper presented at Annual World Conference on Carbon, Dresden, Germany.