Characterizations of solutions in geochemistry: existence, uniqueness, and precipitation diagram

In this paper, we study the properties of a geochemical model involving aqueous and precipitation-dissolution reactions at a local equilibrium in a diluted solution. This model can be derived from the minimization of the free Gibbs energy subject to linear constraints. By using logarithmic variables...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Computational geosciences Jg. 23; H. 3; S. 523 - 535
Hauptverfasser:	Erhel, Jocelyne, Migot, Tangi
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Cham Springer International Publishing 01.06.2019 Springer Nature B.V Springer Verlag
Schlagworte:	Chemical precipitation Earth and Environmental Science Earth Sciences Energy conservation Geochemistry Geophysics Geotechnical Engineering & Applied Earth Sciences Hydrogeology Mass balance Mathematical Modeling and Industrial Mathematics Mathematical models Mathematics Minerals Numerical Analysis Objective function Optimization Original Paper Parameters Physical properties Polynomials Precipitation Sciences of the Universe Set theory Soil Science & Conservation Solutions Uniqueness Precipitation diagram Convex optimization Polynomial system Uniqueness Geochemistry Precipitation-dissolution reaction Modeling Existence polynomial system geochemistry precipitation diagram modeling precipitation-dissolution reaction uniqueness existence convex optimization
ISSN:	1420-0597, 1573-1499
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Abstract	In this paper, we study the properties of a geochemical model involving aqueous and precipitation-dissolution reactions at a local equilibrium in a diluted solution. This model can be derived from the minimization of the free Gibbs energy subject to linear constraints. By using logarithmic variables, we define another minimization problem subject to different linear constraints with reduced size. The new objective function is strictly convex, so that uniqueness is straightforward. Moreover, existence conditions are directly related to the totals, which are the parameters in the mass balance equation. These results allow us to define a partition of the totals into mineral states, where a given subset of minerals are present. This precipitation diagram is inspired from thermodynamic diagrams where a phase depends on physical parameters. Using the polynomial structure of the problem, we provide characterizations and an algorithm to compute the precipitation diagram. Numerical computations on some examples illustrate this approach.
AbstractList	In this paper, we study the properties of a geochemical model involving aqueous and precipitation-dissolution reactions at a local equilibrium in a diluted solution. This model can be derived from the minimization of the free Gibbs energy subject to linear constraints. By using logarithmic variables, we define another minimization problem subject to different linear constraints with reduced size. The new objective function is strictly convex, so that uniqueness is straightforward. Moreover, existence conditions are directly related to the totals, which are the parameters in the mass balance equation. These results allow us to define a partition of the totals into mineral states, where a given subset of minerals are present. This precipitation diagram is inspired from thermodynamic diagrams where a phase depends on physical parameters. Using the polynomial structure of the problem, we provide characterizations and an algorithm to compute the precipitation diagram. Numerical computations on some examples illustrate this approach.
Author	Migot, Tangi Erhel, Jocelyne
Author_xml	– sequence: 1 givenname: Jocelyne surname: Erhel fullname: Erhel, Jocelyne email: jocelyne.erhel@inria.fr organization: Inria, IRMAR – sequence: 2 givenname: Tangi orcidid: 0000-0001-7729-2513 surname: Migot fullname: Migot, Tangi organization: Inria, IRMAR
BackLink	https://inria.hal.science/hal-01584490$$DView record in HAL
BookMark	eNp9kEtLAzEUhYMoWB8_wN2AK8HRm1dn4k6KLyi40XXMZG7blDapyVTUX2_qKIKgq9xcvnM49-yRbR88EnJE4YwCVOeJglTDEmhdqhqgZFtkQGXFSyqU2s6zYFBmpNoleynNAUBVnA7I02hmorEdRvduOhd8KsKkSGGx7j_OF1MMdoZLl7r4dlHgax7QWzwt1t49r9FjSqeF8W2ximjdynWfPkXrzDSa5QHZmZhFwsOvd588Xl89jG7L8f3N3ehyXBpBh10pDVSGMmyZbDjDelIDk8OW26aVhguklUDGa94KoxpsLJNMCNayqrGNaJXi--Sk952ZhV5FtzTxTQfj9O3lWG92QGUthIIXltnjnl3FkC9InZ6HdfQ5nmZUguKqFjJTVU_ZGFKKONH267YuGrfQFPSmet1Xn_1rvaleb_zpL-V3oP80rNekzPopxp9Mf4s-AAW3mK4
CitedBy_id	crossref_primary_10_1007_s10596_021_10058_x crossref_primary_10_1080_19648189_2022_2146317
Cites_doi	10.1007/s10596-009-9157-7 10.1016/S0022-4049(99)00005-5 10.1016/j.advwatres.2015.11.021 10.1007/s002000050114 10.1006/jsco.1993.1051 10.2138/am.2010.3354 10.1016/j.matcom.2013.04.021 10.1016/j.cemconres.2014.11.001 10.1007/BF01586095 10.1515/pac-2016-1107 10.1007/s10596-009-9173-7 10.1046/j.1525-1314.2002.00398.x 10.1007/s10596-010-9178-2 10.1007/s10596-009-9161-y 10.1007/s10596-012-9304-4 10.1007/s10596-009-9158-6 10.1137/0113020 10.1016/j.matcom.2016.11.008 10.1016/j.advwatres.2010.10.004 10.1137/1.9780898719000 10.1016/j.envsoft.2012.06.010 10.1021/ie50702a006 10.1017/CBO9780511619670 10.3133/tm6A43 10.1093/oso/9780195094756.001.0001 10.1007/978-3-662-03891-8 10.1515/9781501509797-004 10.1016/j.jcp.2009.05.044 10.1515/9781501509797-005
ContentType	Journal Article
Copyright	Springer Nature Switzerland AG 2018 Computational Geosciences is a copyright of Springer, (2018). All Rights Reserved. Distributed under a Creative Commons Attribution 4.0 International License
Copyright_xml	– notice: Springer Nature Switzerland AG 2018 – notice: Computational Geosciences is a copyright of Springer, (2018). All Rights Reserved. – notice: Distributed under a Creative Commons Attribution 4.0 International License
DBID	AAYXX CITATION 3V. 7SC 7UA 7XB 88I 8AL 8FD 8FE 8FG 8FK ABUWG AEUYN AFKRA ARAPS AZQEC BENPR BGLVJ BHPHI BKSAR C1K CCPQU DWQXO F1W GNUQQ H8D H96 HCIFZ JQ2 K7- L.G L7M L~C L~D M0N M2P P5Z P62 PCBAR PHGZM PHGZT PKEHL PQEST PQGLB PQQKQ PQUKI Q9U 1XC VOOES
DOI	10.1007/s10596-018-9800-2
DatabaseName	CrossRef ProQuest Central (Corporate) Computer and Information Systems Abstracts Water Resources Abstracts ProQuest Central (purchase pre-March 2016) Science Database (Alumni Edition) Computing Database (Alumni Edition) Technology Research Database ProQuest SciTech Collection ProQuest Technology Collection ProQuest Central (Alumni) (purchase pre-March 2016) ProQuest Central (Alumni) ProQuest One Sustainability ProQuest Central UK/Ireland Advanced Technologies & Computer Science Collection ProQuest Central Essentials - QC ProQuest Central ProQuest Technology Collection Natural Science Collection Earth, Atmospheric & Aquatic Science Collection Environmental Sciences and Pollution Management ProQuest One ProQuest Central ASFA: Aquatic Sciences and Fisheries Abstracts ProQuest Central Student Aerospace Database Aquatic Science & Fisheries Abstracts (ASFA) 2: Ocean Technology, Policy & Non-Living Resources SciTech Premium Collection ProQuest Computer Science Collection Computer Science Database Aquatic Science & Fisheries Abstracts (ASFA) Professional Advanced Technologies Database with Aerospace Computer and Information Systems Abstracts Academic Computer and Information Systems Abstracts Professional Computing Database Science Database Advanced Technologies & Aerospace Database ProQuest Advanced Technologies & Aerospace Collection Earth, Atmospheric & Aquatic Science Database ProQuest Central Premium ProQuest One Academic (New) ProQuest One Academic Middle East (New) ProQuest One Academic Eastern Edition (DO NOT USE) ProQuest One Applied & Life Sciences ProQuest One Academic (retired) ProQuest One Academic UKI Edition ProQuest Central Basic Hyper Article en Ligne (HAL) Hyper Article en Ligne (HAL) (Open Access)
DatabaseTitle	CrossRef Aquatic Science & Fisheries Abstracts (ASFA) Professional Computer Science Database ProQuest Central Student Technology Collection Technology Research Database Computer and Information Systems Abstracts – Academic ProQuest One Academic Middle East (New) ProQuest Advanced Technologies & Aerospace Collection ProQuest Central Essentials ProQuest Computer Science Collection Computer and Information Systems Abstracts ProQuest Central (Alumni Edition) SciTech Premium Collection ProQuest One Community College Water Resources Abstracts Environmental Sciences and Pollution Management ProQuest Central Earth, Atmospheric & Aquatic Science Collection ProQuest One Applied & Life Sciences Aerospace Database ProQuest One Sustainability Natural Science Collection ProQuest Central Korea ProQuest Central (New) Advanced Technologies Database with Aerospace Advanced Technologies & Aerospace Collection ProQuest Computing ProQuest Science Journals (Alumni Edition) ProQuest Central Basic ProQuest Science Journals ProQuest Computing (Alumni Edition) ProQuest One Academic Eastern Edition Earth, Atmospheric & Aquatic Science Database ProQuest Technology Collection ProQuest SciTech Collection Computer and Information Systems Abstracts Professional Advanced Technologies & Aerospace Database Aquatic Science & Fisheries Abstracts (ASFA) 2: Ocean Technology, Policy & Non-Living Resources ProQuest One Academic UKI Edition ASFA: Aquatic Sciences and Fisheries Abstracts ProQuest One Academic ProQuest Central (Alumni) ProQuest One Academic (New)
DatabaseTitleList	Aquatic Science & Fisheries Abstracts (ASFA) Professional
Database_xml	– sequence: 1 dbid: BENPR name: ProQuest Central url: https://www.proquest.com/central sourceTypes: Aggregation Database
DeliveryMethod	fulltext_linktorsrc
Discipline	Geology Mathematics
EISSN	1573-1499
EndPage	535
ExternalDocumentID	oai:HAL:hal-01584490v2 10_1007_s10596_018_9800_2
GroupedDBID	-5D -5G -BR -EM -~C .86 .VR 06D 0R~ 0VY 199 1N0 203 29F 2J2 2JN 2JY 2KG 2KM 2LR 2~H 30V 4.4 406 408 409 40D 40E 5GY 5VS 67Z 6NX 88I 8FE 8FG 8FH 8TC 8UJ 95- 95. 95~ 96X AAAVM AABHQ AACDK AAHNG AAIAL AAJBT AAJKR AANZL AARTL AASML AATNV AATVU AAUYE AAWCG AAYIU AAYQN AAYTO AAYZH ABAKF ABBBX ABBXA ABDZT ABECU ABFTV ABHLI ABHQN ABJNI ABJOX ABKCH ABKTR ABMNI ABMQK ABNWP ABQBU ABSXP ABTEG ABTHY ABTKH ABTMW ABUWG ABWNU ABXPI ACAOD ACDTI ACGFS ACGOD ACHSB ACHXU ACKNC ACMDZ ACMLO ACOKC ACOMO ACPIV ACSNA ACZOJ ADHHG ADHIR ADINQ ADKNI ADKPE ADRFC ADTPH ADURQ ADYFF ADZKW AEFQL AEGAL AEGNC AEJHL AEJRE AEMSY AENEX AEOHA AEPYU AESKC AETLH AEUYN AEVLU AEXYK AFBBN AFKRA AFLOW AFQWF AFRAH AFWTZ AFZKB AGAYW AGDGC AGMZJ AGQEE AGQMX AGRTI AGWIL AGWZB AGYKE AHAVH AHBYD AHKAY AHYZX AIAKS AIGIU AIIXL AILAN AITGF AJRNO AJZVZ ALMA_UNASSIGNED_HOLDINGS ALWAN AMKLP AMXSW AMYLF AMYQR AOCGG ARAPS ARMRJ ASPBG AVWKF AXYYD AYJHY AZFZN AZQEC B-. BA0 BDATZ BENPR BGLVJ BGNMA BHPHI BKSAR BPHCQ BSONS CCPQU CS3 CSCUP DDRTE DL5 DNIVK DPUIP DU5 DWQXO EBLON EBS EIOEI EJD ESBYG FEDTE FERAY FFXSO FIGPU FINBP FNLPD FRRFC FSGXE FWDCC GGCAI GGRSB GJIRD GNUQQ GNWQR GQ6 GQ7 GQ8 GXS HCIFZ HF~ HG5 HG6 HMJXF HQYDN HRMNR HVGLF I-F I09 IJ- IKXTQ ITM IWAJR IXC IXE IZIGR IZQ I~X I~Z J-C J0Z J9A JBSCW JCJTX JZLTJ K6V K7- KDC KOV LAK LK5 LLZTM M0N M2P M4Y M7R MA- N9A NPVJJ NQJWS NU0 O93 O9J OAM P62 P9R PCBAR PF0 PQQKQ PROAC PT4 PT5 Q2X QOS R89 R9I RNS ROL RPX RSV S16 S27 S3B SAP SDH SHX SISQX SJYHP SMT SNE SNPRN SNX SOHCF SOJ SPISZ SRMVM SSLCW STPWE SZN T13 TSG TSK TSV TUC TUS U2A UG4 UOJIU UTJUX UZXMN VC2 VFIZW W23 W48 WK8 YLTOR Z45 Z5O Z7R Z7Y Z81 ZMTXR ~02 ~A9 -Y2 1SB 2P1 2VQ AAPKM AARHV AAYXX ABBRH ABDBE ABFSG ABQSL ABRTQ ABULA ACBXY ACSTC ADHKG AEBTG AEKMD AEZWR AFDZB AFFHD AFGCZ AFHIU AFOHR AGGDS AGJBK AGQPQ AHPBZ AHSBF AHWEU AIXLP AJBLW ATHPR AYFIA BAPOH CAG CITATION COF H13 HZ~ IHE N2Q O9- OVD PHGZM PHGZT PQGLB RNI RZC RZE RZK S1Z TEORI 3V. 7SC 7UA 7XB 8AL 8FD 8FK C1K F1W H8D H96 JQ2 L.G L7M L~C L~D PKEHL PQEST PQUKI Q9U 1XC VOOES
ID	FETCH-LOGICAL-a416t-5a07a12ed25b32e8f80256d3cbd5a34e174e2383d4a9bebc252442d27bcb4d993
IEDL.DBID	BENPR
ISICitedReferencesCount	3
ISICitedReferencesURI	http://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=Summon&SrcAuth=ProQuest&DestLinkType=CitingArticles&DestApp=WOS_CPL&KeyUT=000475578900005&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D
ISSN	1420-0597
IngestDate	Tue Oct 14 20:22:39 EDT 2025 Tue Nov 04 23:16:43 EST 2025 Tue Nov 18 21:56:38 EST 2025 Sat Nov 29 06:12:22 EST 2025 Fri Feb 21 02:36:41 EST 2025
IsDoiOpenAccess	true
IsOpenAccess	true
IsPeerReviewed	true
IsScholarly	true
Issue	3
Keywords	Precipitation diagram Convex optimization Polynomial system Uniqueness Geochemistry Precipitation-dissolution reaction Modeling Existence polynomial system geochemistry precipitation diagram modeling precipitation-dissolution reaction uniqueness existence convex optimization
Language	English
License	Distributed under a Creative Commons Attribution 4.0 International License: http://creativecommons.org/licenses/by/4.0
LinkModel	DirectLink
MergedId	FETCHMERGED-LOGICAL-a416t-5a07a12ed25b32e8f80256d3cbd5a34e174e2383d4a9bebc252442d27bcb4d993
Notes	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14
ORCID	0000-0001-7729-2513
OpenAccessLink	https://inria.hal.science/hal-01584490
PQID	2150939845
PQPubID	55381
PageCount	13
ParticipantIDs	hal_primary_oai_HAL_hal_01584490v2 proquest_journals_2150939845 crossref_citationtrail_10_1007_s10596_018_9800_2 crossref_primary_10_1007_s10596_018_9800_2 springer_journals_10_1007_s10596_018_9800_2
PublicationCentury	2000
PublicationDate	2019-06-01
PublicationDateYYYYMMDD	2019-06-01
PublicationDate_xml	– month: 06 year: 2019 text: 2019-06-01 day: 01
PublicationDecade	2010
PublicationPlace	Cham
PublicationPlace_xml	– name: Cham – name: Dordrecht
PublicationSubtitle	Modeling, Simulation and Data Analysis
PublicationTitle	Computational geosciences
PublicationTitleAbbrev	Comput Geosci
PublicationYear	2019
Publisher	Springer International Publishing Springer Nature B.V Springer Verlag
Publisher_xml	– name: Springer International Publishing – name: Springer Nature B.V – name: Springer Verlag
References	Carrayrou, Hoffmann, Knabner, Kräutle, De Dieuleveult, Erhel, Van Der Lee, Lagneau, Mayer, Macquarrie (CR9) 2010; 14 Kyparisis (CR23) 1985; 32 Leal, Kulik, Kosakowski (CR24) 2016; 88 CR39 CR16 Shapiro, Shapley (CR36) 1965; 13 CR38 CR15 CR37 Faugere (CR17) 1999; 139 CR35 CR12 CR34 CR33 CR10 CR31 CR30 Leal, Kulik, Smith, Saar (CR25) 2017; 89 de Capitani, Petrakakis (CR13) 2010; 95 Georget, Prévost, Vanderbei (CR19) 2015; 68 CR4 CR3 CR6 CR5 Carrayrou (CR7) 2010; 14 Ben Gharbia, Jaffré (CR1) 2014; 99 CR29 CR28 Rouillier (CR32) 1999; 9 Hoffmann, Kräutle, Knabner (CR21) 2012; 16 CR26 Carrayrou, Kern, Knabner (CR8) 2010; 14 Kräutle (CR22) 2011; 34 Faugere, Gianni, Lazard, Mora (CR18) 1993; 16 Ulrich Mayer, MacQuarrie (CR27) 2010; 14 Erhel, Sabit (CR14) 2017; 137 Hoffmann, Kräutle, Knabner (CR20) 2010; 14 Connolly, Petrini (CR11) 2002; 20 Bethke (CR2) 1996 9800_CR30 9800_CR31 9800_CR10 9800_CR33 NZ Shapiro (9800_CR36) 1965; 13 J-C Faugere (9800_CR18) 1993; 16 CM Bethke (9800_CR2) 1996 J Carrayrou (9800_CR8) 2010; 14 F Georget (9800_CR19) 2015; 68 9800_CR16 9800_CR38 9800_CR39 J Kyparisis (9800_CR23) 1985; 32 9800_CR12 9800_CR34 J-C Faugere (9800_CR17) 1999; 139 9800_CR35 9800_CR15 9800_CR37 I Ben Gharbia (9800_CR1) 2014; 99 J Carrayrou (9800_CR9) 2010; 14 S Kräutle (9800_CR22) 2011; 34 AM Leal (9800_CR25) 2017; 89 J Hoffmann (9800_CR20) 2010; 14 J Carrayrou (9800_CR7) 2010; 14 J Hoffmann (9800_CR21) 2012; 16 AM Leal (9800_CR24) 2016; 88 F Rouillier (9800_CR32) 1999; 9 C Capitani de (9800_CR13) 2010; 95 JAD Connolly (9800_CR11) 2002; 20 J Erhel (9800_CR14) 2017; 137 K Ulrich Mayer (9800_CR27) 2010; 14 9800_CR28 9800_CR29 9800_CR4 9800_CR3 9800_CR6 9800_CR5 9800_CR26
References_xml	– volume: 14 start-page: 385 year: 2010 end-page: 392 ident: CR8 article-title: Reactive transport benchmark of MoMaS publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9157-7 – volume: 139 start-page: 61 issue: 1 year: 1999 end-page: 88 ident: CR17 article-title: A new efficient algorithm for computing Gröbner bases (F 4) publication-title: J. Pure Appl. Algebra doi: 10.1016/S0022-4049(99)00005-5 – volume: 88 start-page: 231 year: 2016 end-page: 240 ident: CR24 article-title: Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations publication-title: Adv. Water Resour. doi: 10.1016/j.advwatres.2015.11.021 – volume: 9 start-page: 433 issue: 5 year: 1999 end-page: 461 ident: CR32 article-title: Solving zero-dimensional systems through the rational univariate representation publication-title: Applic. Algebra Eng. Commun. Comput. doi: 10.1007/s002000050114 – ident: CR4 – volume: 16 start-page: 329 issue: 4 year: 1993 end-page: 344 ident: CR18 article-title: Efficient computation of zero-dimensional Gröbner bases by change of ordering publication-title: J. Symb. Comput. doi: 10.1006/jsco.1993.1051 – ident: CR39 – ident: CR16 – ident: CR37 – ident: CR12 – ident: CR30 – ident: CR10 – year: 1996 ident: CR2 publication-title: Geochemical Reaction Modeling: Concepts and Applications – ident: CR33 – volume: 95 start-page: 1006 issue: 7 year: 2010 end-page: 1016 ident: CR13 article-title: The computation of equilibrium assemblage diagrams with Theriak/Domino software publication-title: Am. Mineral. doi: 10.2138/am.2010.3354 – ident: CR35 – ident: CR6 – ident: CR29 – volume: 99 start-page: 28 year: 2014 end-page: 36 ident: CR1 article-title: Gas phase appearance and disappearance as a problem with complementarity constraints publication-title: Math. Comput. Simul. doi: 10.1016/j.matcom.2013.04.021 – volume: 68 start-page: 139 year: 2015 end-page: 147 ident: CR19 article-title: A speciation solver for cement paste modeling and the semismooth Newton method publication-title: Cem. Concr. Res. doi: 10.1016/j.cemconres.2014.11.001 – volume: 32 start-page: 242 issue: 2 year: 1985 end-page: 246 ident: CR23 article-title: On uniqueness of Kuhn-Tucker multipliers in nonlinear programming publication-title: Math. Program. doi: 10.1007/BF01586095 – ident: CR3 – ident: CR15 – ident: CR38 – volume: 89 start-page: 597 issue: 5 year: 2017 end-page: 643 ident: CR25 article-title: An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling publication-title: Pure Appl. Chem. doi: 10.1515/pac-2016-1107 – volume: 14 start-page: 421 year: 2010 end-page: 433 ident: CR20 article-title: A parallel global-implicit 2-d solver for reactive transport problems in porous media based on a reduction scheme and its application to the Momas benchmark problem publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9173-7 – ident: CR31 – volume: 20 start-page: 697 issue: 7 year: 2002 end-page: 708 ident: CR11 article-title: An automated strategy for calculation of phase diagram sections and retrieval of rock properties as a function of physical conditions publication-title: J. Metamorph. Geol. doi: 10.1046/j.1525-1314.2002.00398.x – ident: CR34 – volume: 14 start-page: 483 issue: 3 year: 2010 end-page: 502 ident: CR9 article-title: Comparison of numerical methods for simulating strongly nonlinear and heterogeneous reactive transport problems—the MoMaS benchmark case publication-title: Comput. Geosci. doi: 10.1007/s10596-010-9178-2 – volume: 14 start-page: 393 year: 2010 end-page: 403 ident: CR7 article-title: Looking for some reference solutions for the reactive transport benchmark of momas with specy publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9161-y – ident: CR5 – volume: 16 start-page: 1081 year: 2012 end-page: 1099 ident: CR21 article-title: A general reduction scheme for reactive transport in porous media publication-title: Comput. Geosci. doi: 10.1007/s10596-012-9304-4 – volume: 14 start-page: 405 year: 2010 end-page: 419 ident: CR27 article-title: Solution of the momas reactive transport benchmark with min3p—model formulation and simulation results publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9158-6 – ident: CR28 – ident: CR26 – volume: 13 start-page: 353 issue: 2 year: 1965 end-page: 375 ident: CR36 article-title: Mass action laws and the Gibbs free energy function publication-title: J. Soc. Ind. Appl. Math. doi: 10.1137/0113020 – volume: 137 start-page: 286 year: 2017 end-page: 298 ident: CR14 article-title: Analysis of a global reactive transport model and results for the MoMaS benchmark publication-title: Math. Comput. Simul. doi: 10.1016/j.matcom.2016.11.008 – volume: 34 start-page: 137 issue: 1 year: 2011 end-page: 151 ident: CR22 article-title: The semismooth Newton method for multicomponent reactive transport with minerals publication-title: Adv. Water Resour. doi: 10.1016/j.advwatres.2010.10.004 – volume: 88 start-page: 231 year: 2016 ident: 9800_CR24 publication-title: Adv. Water Resour. doi: 10.1016/j.advwatres.2015.11.021 – volume: 137 start-page: 286 year: 2017 ident: 9800_CR14 publication-title: Math. Comput. Simul. doi: 10.1016/j.matcom.2016.11.008 – volume: 95 start-page: 1006 issue: 7 year: 2010 ident: 9800_CR13 publication-title: Am. Mineral. doi: 10.2138/am.2010.3354 – volume: 68 start-page: 139 year: 2015 ident: 9800_CR19 publication-title: Cem. Concr. Res. doi: 10.1016/j.cemconres.2014.11.001 – volume: 14 start-page: 421 year: 2010 ident: 9800_CR20 publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9173-7 – ident: 9800_CR28 – ident: 9800_CR12 doi: 10.1137/1.9780898719000 – ident: 9800_CR5 – volume: 99 start-page: 28 year: 2014 ident: 9800_CR1 publication-title: Math. Comput. Simul. doi: 10.1016/j.matcom.2013.04.021 – volume: 16 start-page: 329 issue: 4 year: 1993 ident: 9800_CR18 publication-title: J. Symb. Comput. doi: 10.1006/jsco.1993.1051 – volume: 34 start-page: 137 issue: 1 year: 2011 ident: 9800_CR22 publication-title: Adv. Water Resour. doi: 10.1016/j.advwatres.2010.10.004 – volume: 9 start-page: 433 issue: 5 year: 1999 ident: 9800_CR32 publication-title: Applic. Algebra Eng. Commun. Comput. doi: 10.1007/s002000050114 – ident: 9800_CR34 – ident: 9800_CR30 – ident: 9800_CR29 doi: 10.1016/j.envsoft.2012.06.010 – ident: 9800_CR39 doi: 10.1021/ie50702a006 – ident: 9800_CR3 doi: 10.1017/CBO9780511619670 – volume: 20 start-page: 697 issue: 7 year: 2002 ident: 9800_CR11 publication-title: J. Metamorph. Geol. doi: 10.1046/j.1525-1314.2002.00398.x – ident: 9800_CR31 doi: 10.3133/tm6A43 – volume: 13 start-page: 353 issue: 2 year: 1965 ident: 9800_CR36 publication-title: J. Soc. Ind. Appl. Math. doi: 10.1137/0113020 – volume-title: Geochemical Reaction Modeling: Concepts and Applications year: 1996 ident: 9800_CR2 doi: 10.1093/oso/9780195094756.001.0001 – volume: 14 start-page: 393 year: 2010 ident: 9800_CR7 publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9161-y – volume: 14 start-page: 405 year: 2010 ident: 9800_CR27 publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9158-6 – ident: 9800_CR10 doi: 10.1007/978-3-662-03891-8 – volume: 16 start-page: 1081 year: 2012 ident: 9800_CR21 publication-title: Comput. Geosci. doi: 10.1007/s10596-012-9304-4 – ident: 9800_CR6 – volume: 14 start-page: 385 year: 2010 ident: 9800_CR8 publication-title: Comput. Geosci. doi: 10.1007/s10596-009-9157-7 – ident: 9800_CR26 doi: 10.1515/9781501509797-004 – ident: 9800_CR15 doi: 10.1016/j.jcp.2009.05.044 – ident: 9800_CR37 – volume: 89 start-page: 597 issue: 5 year: 2017 ident: 9800_CR25 publication-title: Pure Appl. Chem. doi: 10.1515/pac-2016-1107 – volume: 139 start-page: 61 issue: 1 year: 1999 ident: 9800_CR17 publication-title: J. Pure Appl. Algebra doi: 10.1016/S0022-4049(99)00005-5 – ident: 9800_CR38 doi: 10.1515/9781501509797-005 – ident: 9800_CR4 – ident: 9800_CR35 – volume: 14 start-page: 483 issue: 3 year: 2010 ident: 9800_CR9 publication-title: Comput. Geosci. doi: 10.1007/s10596-010-9178-2 – ident: 9800_CR33 – ident: 9800_CR16 – volume: 32 start-page: 242 issue: 2 year: 1985 ident: 9800_CR23 publication-title: Math. Program. doi: 10.1007/BF01586095
SSID	ssj0009731
Score	2.2016885
Snippet	In this paper, we study the properties of a geochemical model involving aqueous and precipitation-dissolution reactions at a local equilibrium in a diluted...
SourceID	hal proquest crossref springer
SourceType	Open Access Repository Aggregation Database Enrichment Source Index Database Publisher
StartPage	523
SubjectTerms	Chemical precipitation Earth and Environmental Science Earth Sciences Energy conservation Geochemistry Geophysics Geotechnical Engineering & Applied Earth Sciences Hydrogeology Mass balance Mathematical Modeling and Industrial Mathematics Mathematical models Mathematics Minerals Numerical Analysis Objective function Optimization Original Paper Parameters Physical properties Polynomials Precipitation Sciences of the Universe Set theory Soil Science & Conservation Solutions Uniqueness
SummonAdditionalLinks	– databaseName: SpringerLINK Contemporary 1997-Present dbid: RSV link: http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV3dS8MwEA86FXzxW5xOCeKTrtCmydr4NoZzD2MIfrC32jSZDqQb-wL_e-_Sdpuigr62l7bcXZJfene_I-QiiZH_VuJ_DTibcE8pJ4Z92mE1VYtDt6eEbwuF20GnE3a78i6v4x4X2e5FSNKu1EvFbgITZj2YoIByHFh31wSSzeAR_f5pwbQb2CaEHmcY5ZVBEcr87hGfNqPVV0yFXMKZX0Kjdsdpbv_rW3fIVg4waT3ziF2yYtI9snFrG_i-75PnxpyhOS_ApIMenTsg7af0xWAXrawN3DVFqkyLq6t0aslecW2s0jjVdIjMGMOc5JuCo2Gm1wF5bN48NFpO3mUBjOLVJo6I3SD2mNFMKJ-ZsBciDNJ-orSIfW7gyGJgX_c1j6UyKmECEAHTLFCJ4hrgzSEppYPUHBHqCheDyr7USvNAhmBs7SYKY4kSRvMycQt1R0n-ddgJ4y1akCej4iJQXISKi1iZXM6HDDP-jd-Ez8GGczlkzm7V2xFeA9QTci7dGQhVChNH-XwdRwB8XOnLkIsyuSpMurj94xuP_yR9QjYBb8ks06xCSpPR1JyS9WQ26Y9HZ9aNPwDl4eqA priority: 102 providerName: Springer Nature
Title	Characterizations of solutions in geochemistry: existence, uniqueness, and precipitation diagram
URI	https://link.springer.com/article/10.1007/s10596-018-9800-2 https://www.proquest.com/docview/2150939845 https://inria.hal.science/hal-01584490
Volume	23
WOSCitedRecordID	wos000475578900005&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D
hasFullText	1
inHoldings	1
isFullTextHit
isPrint
journalDatabaseRights	– providerCode: PRVPQU databaseName: Advanced Technologies & Aerospace Database customDbUrl: eissn: 1573-1499 dateEnd: 20241213 omitProxy: false ssIdentifier: ssj0009731 issn: 1420-0597 databaseCode: P5Z dateStart: 19970101 isFulltext: true titleUrlDefault: https://search.proquest.com/hightechjournals providerName: ProQuest – providerCode: PRVPQU databaseName: Computer Science Database customDbUrl: eissn: 1573-1499 dateEnd: 20241213 omitProxy: false ssIdentifier: ssj0009731 issn: 1420-0597 databaseCode: K7- dateStart: 19970101 isFulltext: true titleUrlDefault: http://search.proquest.com/compscijour providerName: ProQuest – providerCode: PRVPQU databaseName: Earth, Atmospheric & Aquatic Science Database customDbUrl: eissn: 1573-1499 dateEnd: 20241213 omitProxy: false ssIdentifier: ssj0009731 issn: 1420-0597 databaseCode: PCBAR dateStart: 19970101 isFulltext: true titleUrlDefault: https://search.proquest.com/eaasdb providerName: ProQuest – providerCode: PRVPQU databaseName: ProQuest Central customDbUrl: eissn: 1573-1499 dateEnd: 20241213 omitProxy: false ssIdentifier: ssj0009731 issn: 1420-0597 databaseCode: BENPR dateStart: 19970101 isFulltext: true titleUrlDefault: https://www.proquest.com/central providerName: ProQuest – providerCode: PRVPQU databaseName: Science Database customDbUrl: eissn: 1573-1499 dateEnd: 20241213 omitProxy: false ssIdentifier: ssj0009731 issn: 1420-0597 databaseCode: M2P dateStart: 19970101 isFulltext: true titleUrlDefault: https://search.proquest.com/sciencejournals providerName: ProQuest – providerCode: PRVAVX databaseName: SpringerLINK Contemporary 1997-Present customDbUrl: eissn: 1573-1499 dateEnd: 99991231 omitProxy: false ssIdentifier: ssj0009731 issn: 1420-0597 databaseCode: RSV dateStart: 19970401 isFulltext: true titleUrlDefault: https://link.springer.com/search?facet-content-type=%22Journal%22 providerName: Springer Nature
link	http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwpV1LT-MwEB5RHhIXYBcQhYKsFaeFaBPHbmIuCBAPCagqYBHaS4hjF5BQWmipxL9nJnFaWAkuXHxInIcyE89nz_j7ADazlPhvFa1r4NxEBFp7KcZpjzd1M439jpZhsVH4LGq14psb1XYLbn1XVlmNicVAbboZrZH_wdCEk28VC7nbe_JINYqyq05CowZTxFSGfj61f9hqX4xpd6NCkTAQnFK-KqrymuXmOUkFuAH-8IiaPP4hMtXuqS7yHej8L09ahJ-j-e---ALMOeDJ9kpP-QETNv8JM8eFsO_rItwejJib3cZM1u2wkWOyh5zdWVLXKuXhdhhRaBZ4e5u9FCSwNGZuszQ3rEeMGT1H_s3QAakCbAn-Hh1eHZx4Tn0BjRU0B55M_SgNuDVc6pDbuBMTPDJhpo1MQ2FxKmMx3odGpEpbnXGJSIEbHulMC4OwZxkm825uV4D50qdkc6iMNiJSMTqB8TNNOUaFV4s6-NWXTzL3dqSQ8ZiMSZXJWAkaKyFjJbwOv0eX9Epejq86_0JzjvoRo_bJ3llCxxANxUIof4idGpX9Evcf95Ox8eqwVXnA-PSnT1z9-mZrMIvAS5UlZw2YHDy_2HWYzoaDh_7zhnPiDaidRh6257yNbVv-w_bi8voNdjz6Pg
linkProvider	ProQuest
linkToHtml	http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMw1V1bT9swFD6CMjRegDHQytWatpetEYljNzESQsBgRXQVmkDizcSxuyGhtNAC4k_xGzknl3abBG887DWxEyf-fC4-x98B-JQmxH-raF8DfRMRGOMlqKc93jTNJPa7Rob5QeF21OnE5-fqZAIeq7MwlFZZycRcUNteSnvkm6ia0PlWsZA7_WuPqkZRdLUqoVHA4tg93KPLNtg--obz-5nzw4PT_ZZXVhXAQQTNoScTP0oC7iyXJuQu7sak9m2YGiuTUDg00R3qsdCKRBlnUi5RA3LLI5MaYRWRL6HInxKhaMoaTO0ddE5-jml-o7wCYiA4hZhVVMVRi8N6khJ-AxQwaKV5_C9NOPmb8jD_MHL_icvm6u5w7n_7UfMwWxrWbLdYCe9gwmULMP09L1z88B4u9kfM1OXBU9brstHCY5cZ--WoelhR_m6LEUVo7k802G1Ocks6ocGSzLI-MYL0S3JzhguMMtwW4exVPm8Jalkvcx-A-dKnYHqorLEiUjGC3PqpoRiqwt6iDn410zotR0cVQK70mDSawKERHJrAoXkdvoy69AvekZcaf0T4jNoRY3hrt63pGlp7sRDKv8NGqxVedCmnBnoMljp8rRA3vv3sG5dfftgGvG2d_mjr9lHneAVm0MhURXrdKtSGN7duDd6kd8PLwc16uYAYXLw2FJ8AsCpTXg
linkToPdf	http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMw1V1LT9wwEB4BhYoL5VWxhRYL0QsQkTj2Jq5UVQhYQKxWewAJcfHGsbdFQtmFXaj4a_w6ZvLYpUjlxoFrYidO_HkenvE3AJtpQvy3ivY10DcRgTFegnra43VTT2K_a2SYHxRuRq1WfHGh2hPwWJ2FobTKSibmgtr2Utoj30XVhM63ioXc7ZZpEe2Dxq_-jUcVpCjSWpXTKCBy6h7-ovs2-HlygHP9nfPG4dn-sVdWGMABBfWhJxM_SgLuLJcm5C7uxmQC2DA1ViahcGiuO9RpoRWJMs6kXKI25JZHJjXCKiJiQvH_IRL1mNLJ2vJyTPgb5bUQA8Ep2KyiKqJaHNuTlPoboKhBe83j_-jEyT-UkfnM3H0Roc0VX-PTe_5l8zBXmttsr1gfCzDhskWYOcrLGT8sQWd_xFddHkdlvS4bLUd2lbHfjmqKFUXxfjAiDs29jB12l1PfkqbYYUlmWZ94Qvol5TnDZUd5b8tw_iaf9xmmsl7mVoD50qcQe6issSJSMULf-qmhyKrC3qIGfjXrOi1HR3VBrvWYSpqAohEomoCieQ22Rl36BRvJa403EEqjdsQjfrzX1HQNbcBYCOXfY6O1Cju6lF4DPQZODbYr9I1v__eNX15_2Dp8RPzp5knrdBVm0fJURc7dGkwNb-_cV5hO74dXg9tv-Upi0HlrHD4BwSta8w
openUrl	ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=Characterizations+of+solutions+in+geochemistry%3A+existence%2C+uniqueness%2C+and+precipitation+diagram&rft.jtitle=Computational+geosciences&rft.au=Erhel%2C+Jocelyne&rft.au=Migot%2C+Tangi&rft.date=2019-06-01&rft.pub=Springer+Nature+B.V&rft.issn=1420-0597&rft.eissn=1573-1499&rft.volume=23&rft.issue=3&rft.spage=523&rft.epage=535&rft_id=info:doi/10.1007%2Fs10596-018-9800-2&rft.externalDBID=HAS_PDF_LINK
thumbnail_l	http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=1420-0597&client=summon
thumbnail_m	http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=1420-0597&client=summon
thumbnail_s	http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=1420-0597&client=summon