PHREEQC swMATH ID: 7853 Software Authors: Parkhurst, D.L., Appelo, C.J Description: Description of Input and Examples for PHREEQC Version 3—A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations. PHREEQC version 3 is a computer program written in the C and C++ programming languages that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC implements several types of aqueous models: two ion-association aqueous models (the Lawrence Livermore National Laboratory model and WATEQ4F), a Pitzer specific-ion-interaction aqueous model, and the SIT (Specific ion Interaction Theory) aqueous model. Using any of these aqueous models, PHREEQC has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters within specified compositional uncertainty limits. Homepage: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/ Related Software: PhreeqcRM; HYDROGEOCHEM; MoMaS; HYTEC; CrunchFlow; OpenGeoSys; MIN3P; GEMSelektor; GEMS3K; TOUGHREACT; PFLOTRAN; ORCHESTRA; GeoSysBRNS; COMSOL; SPECY; FEniCS-Reaktoro; STOMP; COMSOL-GEMS; SUPCRT92; eSTOMP Cited in: 29 Publications all top 5 Cited by 99 Authors 4 Kosakowski, Georg 2 Alvarez, Amaury Cruz 2 Bruining, Johannes 2 Carrayrou, Jérôme 2 Erhel, Jocelyne 2 Hingerl, Ferdinand F. 2 Kolditz, Olaf 2 Kulik, Dmitrii A. 2 Lambert, Wanderson J. 2 Marchesin, Dan 2 Mayer, K. Ulrich 2 Steefel, Carl I. 2 Wagner, Thomas A. 1 Águila, Jesús F. 1 Agus, S. S. 1 Ahmadi, Navid 1 Al Nazer, Safaa 1 Amir, Laila 1 Appelo, C. A. J. 1 Arora, Bhavna 1 Benetto, E. 1 Bermúdez, Alfredo 1 Berner, Urs R. 1 Capitanescu, Florin 1 Chudnenko, Konstantin V. 1 Churakov, Sergey V. 1 Cochepin, Benoit 1 Damiani, Leonardo Hax 1 de Barros, Felipe P. J. 1 De Dieuleveult, Caroline 1 Dmytrieva, Svitlana V. 1 Driesner, Thomas 1 Dubois, Frédéric 1 Fang, Yilin 1 Fernàndez-Garcia, Daniel 1 Gao, Jinfang 1 García-García, Luz M. 1 Glaus, Martin A. 1 Guadagnini, Alberto 1 Heck, Katharina 1 Helmig, Rainer 1 Jazar, Mustapha 1 Kalbacher, Thomas 1 Kern, Michel 1 Kinoshita, Naoki 1 Kishida, Kiyoshi 1 Krejci, Philipp 1 Kyas, Svetlana 1 Lagneau, Vincent 1 Leal, Allan M. M. 1 Leconte, Marc 1 Lévy-Leduc, Céline 1 Li, Ming-Hsu 1 Li, Yuan 1 Lichtner, P. C. 1 Machat, Hela 1 MacQuarrie, Kerry T. B. 1 Marvuglia, A. 1 Matos, Vítor 1 Meeussen, J. C. L. 1 Migot, Tangi 1 Molins, Sergi 1 Monerie, Yann 1 Montenegro, Luis 1 Montoya, Vanessa 1 Morvillo, Maria 1 Mosthaf, Klaus 1 Mucci, Alfonso 1 Ogata, Sho 1 Perales, Frédéric 1 Pfingsten, Wilfried 1 Rizzo, Calogero B. 1 Rolle, Massimo 1 Rosier, Carole 1 Saar, Martin O. 1 Samper, Javier 1 Sanchez-Vila, Xavier 1 Savino, Mary 1 Schanz, Tom 1 Šembera, Jan 1 Shao, Haibing 1 Siegel, Malcolm D. 1 Šimůnek, J. 1 Socié, Adrien 1 Spycher, N. 1 Su, Danyang 1 Sun, Jiangtao 1 Tan, Yunliang 1 Tian, Zhiwei 1 Tiruta-Barna, L. 1 Tournassat, Christophe 1 Villegas-Jiménez, Adrián 1 Volpatto, Diego 1 Xing, Huilin 1 Yabusaki, S. B. 1 Yasuhara, Hideaki 1 Yeh, Gour-Tsyh 1 Žabka, Vratislav 1 Zhang, Fan all top 5 Cited in 8 Serials 18 Computational Geosciences 3 Mathematical Geosciences 2 Journal of Computational Physics 1 International Journal for Numerical and Analytical Methods in Geomechanics 1 Physica A 1 Journal of Differential Equations 1 Applied Numerical Mathematics 1 European Journal of Operational Research all top 5 Cited in 11 Fields 18 Fluid mechanics (76-XX) 16 Geophysics (86-XX) 7 Numerical analysis (65-XX) 4 Mechanics of deformable solids (74-XX) 3 Computer science (68-XX) 2 Partial differential equations (35-XX) 1 Ordinary differential equations (34-XX) 1 Dynamical systems and ergodic theory (37-XX) 1 Classical thermodynamics, heat transfer (80-XX) 1 Operations research, mathematical programming (90-XX) 1 Biology and other natural sciences (92-XX) Citations by Year