A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials
A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equa...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Guo, Bingbing [verfasserIn] Hong, Yi [verfasserIn] Qiao, Guofu [verfasserIn] Ou, Jinping [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2018 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Construction and building materials - Amsterdam [u.a.] : Elsevier Science, 1987, 187, Seite 839-853 |
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| Übergeordnetes Werk: |
volume:187 ; pages:839-853 |
| DOI / URN: |
10.1016/j.conbuildmat.2018.07.242 |
|---|
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ELV000455970 |
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| 245 | 1 | 0 | |a A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials |
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| 520 | |a A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. | ||
| 650 | 4 | |a Cement-based materials | |
| 650 | 4 | |a Durability | |
| 650 | 4 | |a Multi-species transport | |
| 650 | 4 | |a Numerical simulation | |
| 650 | 4 | |a Chloride | |
| 650 | 4 | |a Physical and chemical interactions | |
| 700 | 1 | |a Hong, Yi |e verfasserin |4 aut | |
| 700 | 1 | |a Qiao, Guofu |e verfasserin |4 aut | |
| 700 | 1 | |a Ou, Jinping |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Construction and building materials |d Amsterdam [u.a.] : Elsevier Science, 1987 |g 187, Seite 839-853 |h Online-Ressource |w (DE-627)320423115 |w (DE-600)2002804-0 |w (DE-576)259271187 |7 nnns |
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10.1016/j.conbuildmat.2018.07.242 doi (DE-627)ELV000455970 (ELSEVIER)S0950-0618(18)31911-1 DE-627 ger DE-627 rda eng 690 DE-600 56.45 bkl Guo, Bingbing verfasserin aut A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. Cement-based materials Durability Multi-species transport Numerical simulation Chloride Physical and chemical interactions Hong, Yi verfasserin aut Qiao, Guofu verfasserin aut Ou, Jinping verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 187, Seite 839-853 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:187 pages:839-853 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 56.45 Baustoffkunde AR 187 839-853 |
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10.1016/j.conbuildmat.2018.07.242 doi (DE-627)ELV000455970 (ELSEVIER)S0950-0618(18)31911-1 DE-627 ger DE-627 rda eng 690 DE-600 56.45 bkl Guo, Bingbing verfasserin aut A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. Cement-based materials Durability Multi-species transport Numerical simulation Chloride Physical and chemical interactions Hong, Yi verfasserin aut Qiao, Guofu verfasserin aut Ou, Jinping verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 187, Seite 839-853 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:187 pages:839-853 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 56.45 Baustoffkunde AR 187 839-853 |
| allfields_unstemmed |
10.1016/j.conbuildmat.2018.07.242 doi (DE-627)ELV000455970 (ELSEVIER)S0950-0618(18)31911-1 DE-627 ger DE-627 rda eng 690 DE-600 56.45 bkl Guo, Bingbing verfasserin aut A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. Cement-based materials Durability Multi-species transport Numerical simulation Chloride Physical and chemical interactions Hong, Yi verfasserin aut Qiao, Guofu verfasserin aut Ou, Jinping verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 187, Seite 839-853 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:187 pages:839-853 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 56.45 Baustoffkunde AR 187 839-853 |
| allfieldsGer |
10.1016/j.conbuildmat.2018.07.242 doi (DE-627)ELV000455970 (ELSEVIER)S0950-0618(18)31911-1 DE-627 ger DE-627 rda eng 690 DE-600 56.45 bkl Guo, Bingbing verfasserin aut A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. Cement-based materials Durability Multi-species transport Numerical simulation Chloride Physical and chemical interactions Hong, Yi verfasserin aut Qiao, Guofu verfasserin aut Ou, Jinping verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 187, Seite 839-853 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:187 pages:839-853 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 56.45 Baustoffkunde AR 187 839-853 |
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10.1016/j.conbuildmat.2018.07.242 doi (DE-627)ELV000455970 (ELSEVIER)S0950-0618(18)31911-1 DE-627 ger DE-627 rda eng 690 DE-600 56.45 bkl Guo, Bingbing verfasserin aut A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. Cement-based materials Durability Multi-species transport Numerical simulation Chloride Physical and chemical interactions Hong, Yi verfasserin aut Qiao, Guofu verfasserin aut Ou, Jinping verfasserin aut Enthalten in Construction and building materials Amsterdam [u.a.] : Elsevier Science, 1987 187, Seite 839-853 Online-Ressource (DE-627)320423115 (DE-600)2002804-0 (DE-576)259271187 nnns volume:187 pages:839-853 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 56.45 Baustoffkunde AR 187 839-853 |
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A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials |
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| title_full |
A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials |
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Guo, Bingbing |
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Construction and building materials |
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Construction and building materials |
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eng |
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Guo, Bingbing Hong, Yi Qiao, Guofu Ou, Jinping |
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Guo, Bingbing |
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10.1016/j.conbuildmat.2018.07.242 |
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690 |
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| title_sort |
a comsol-phreeqc interface for modeling the multi-species transport of saturated cement-based materials |
| title_auth |
A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials |
| abstract |
A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. |
| abstractGer |
A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. |
| abstract_unstemmed |
A COMSOL-PHREEQC interface based on MATLAB language is developed to simulate a multi-dimensional and multi-species ionic transport for cement-based materials. This interface couples the physical and chemical interactions between pore solution and cement hydrates (PHREEQC) into the Nernst-Planck equations (COMSOL) using a sequential non-iterative approach (SNIA). Based on the thermodynamic insight, the phase-equilibrium model and the surface complexation model are used to express the physical and chemical interactions. In addition, the influence of the variation of the porosity on the ionic transport is considered. Moreover, two reported experiments are taken as an example to illustrate the application of the interface and to verify its accuracy. The results indicate that the developed interface can accurately predict the transport of chloride in cement-based materials. |
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| title_short |
A COMSOL-PHREEQC interface for modeling the multi-species transport of saturated cement-based materials |
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Hong, Yi Qiao, Guofu Ou, Jinping |
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10.1016/j.conbuildmat.2018.07.242 |
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