From 54d689ecf611bcf03566a74d44fd4be6ae2d44de Mon Sep 17 00:00:00 2001 From: Darth Vader Date: Mon, 13 May 2024 23:22:09 +0000 Subject: [PATCH] Squashed 'doc/' changes from 54237d62..ee42c30e ee42c30e Updated GET$/PUT$ documentation git-subtree-dir: doc git-subtree-split: ee42c30eeefcb8f2404f9026068668dfc3358025 --- RELEASE.TXT | 56 ++++++++++++++++++++++++++--------------------------- 1 file changed, 28 insertions(+), 28 deletions(-) diff --git a/RELEASE.TXT b/RELEASE.TXT index d7870b7e4..92a3d4aa6 100644 --- a/RELEASE.TXT +++ b/RELEASE.TXT @@ -7,13 +7,13 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@ -dw Dw(25C) dw_T a a2 visc a3 a_v_dif where, - Dw(25C)—Tracer diffusion coefficient for the species at 25 °C, m 2 /s. - dw_T—Temperature dependence for diffusion coefficient. - a—Debye-Huckel ion size. - a2—exponent. - Visc—Viscosity exponent. - a3—Ionic strength exponent. - A_v_dif—Exponent for (viscosity_0/viscosity). + Dw(25C)�Tracer diffusion coefficient for the species at 25 �C, m 2 /s. + dw_T�Temperature dependence for diffusion coefficient. + a�Debye-Huckel ion size. + a2�exponent. + Visc�Viscosity exponent. + a3�Ionic strength exponent. + A_v_dif�Exponent for (viscosity_0/viscosity). The diffusion coefficient is calculated as follows: Dw = Dw(25C) * exp(dw_T / T - dw_T / 298.15) @@ -145,9 +145,9 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 April 21, 2024 ----------------- PHREEQC: Added Basic functions GET$ and PUT$. They are are the same as - GET and PUT, except the first argument is a character string. You may - one or more indices as needed to identify the value that is put or - gotten. + GET and PUT, except the first argument for PUT$ is a character string, + and GET$ returns a character string. You may use one or more indices as + needed to identify the value that is saved (PUT$) or retrieved (GET$). PUT$("MgCl2", 1, 1, 1) x$ = GET$(1, 1, 1) @@ -181,11 +181,11 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 March 25, 2024 ----------------- DATABASES phreeqc.dat, Amm.dat, and pitzer.dat: The calculation of the - specific conductance can now be done with a Debye-Hückel-Onsager equation + specific conductance can now be done with a Debye-H�ckel-Onsager equation that has both the electrophoretic and the relaxation term. (The standard phreeqc calculation uses a simple electrophoretic term only.) For individual ions, the equation can be multiplied with the viscosity ratio of - the solvent and the solution, and the ion-size a in the Debye-Hückel term + the solvent and the solution, and the ion-size a in the Debye-H�ckel term kappa_a can be made a function of the apparent molar volume of the ion. The options are described and used in the databases. The additions extend the applicability of the DHO equation to concentrations in the molar range, @@ -270,7 +270,7 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 first viscosity parameter was set to 0. Defined -analytical_expression and -gamma for Na2SO4, K2SO4 and MgSO4 and Mg(SO4)2-2 species in - phreeqc.dat and Amm.dat, fitting the activities from pitzer.dat from 0-200 °C, and the solubilities of + phreeqc.dat and Amm.dat, fitting the activities from pitzer.dat from 0-200 �C, and the solubilities of mirabilite/thenardite (Na2SO4), arcanite (K2SO4), and epsomite, hexahydrite, kieserite (MgSO4 and new species Mg(SO4)2-2). The parameters for calculating the apparent volume (-Vm) and the diffusion coefficients (-Dw) of the species were adapted using measured data of density and @@ -297,7 +297,7 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 where eta is the viscosity of the solution (mPa s), eta0 is viscosity of pure water at the temperature and pressure of the solution, mi is the molality of species i, made dimensionless - by dividing by 1 molal, and zi is the absolute charge number. A is derived from Debye-Hückel + by dividing by 1 molal, and zi is the absolute charge number. A is derived from Debye-H�ckel theory, and fan, B, D and n are coefficients that incorporate volume, ionic strength and temperature effects. @@ -305,8 +305,8 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 B = b0 + b1 exp(-b2 tC) - where b0, b1, and b2 are coefficients, and tC is the temperature in ºC. The temperature is - limited to 200°C. + where b0, b1, and b2 are coefficients, and tC is the temperature in �C. The temperature is + limited to 200�C. fan = (2 - tan * Van / VCl-) @@ -361,8 +361,8 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 It will set Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc and Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |zi| * I 0.5 / (1 + DH_B * I 0.5 * 1e-10 / (1 + I 0.75))), - where viscos_0_25 is the viscosity of pure water at 25 °C, viscos_0_tc is the viscosity of pure - water at the temperature of the solution. DH_A and DH_B are Debye-Hückel parameters, + where viscos_0_25 is the viscosity of pure water at 25 �C, viscos_0_tc is the viscosity of pure + water at the temperature of the solution. DH_A and DH_B are Debye-H�ckel parameters, retrievable with PHREEQC Basic. @@ -373,7 +373,7 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 The correction is applied when the option is set true in TRANSPORT, item -multi_D: -multi_d true 1e-9 0.3 0.05 1.0 true # multicomponent diffusion - # true/false, default tracer diffusion coefficient (Dw = 1e-9 m2/s) in water at 25 °C (used in + # true/false, default tracer diffusion coefficient (Dw = 1e-9 m2/s) in water at 25 �C (used in case -dw is not defined for a species), porosity (por = 0.3), limiting porosity (0.05) below which diffusion stops, exponent n (1.0) used in calculating the porewater diffusion coefficient Dp = Dw * por^n, true/false: correct Dw for ionic strength (false by default). @@ -846,8 +846,8 @@ DH_BDOT("Na+") Debye-Huckel species-specific ionic strength coefficient. Busenberg (1982) used in pitzer.dat. Modified the -analytical_expression for dolomite in - phreeqc.dat and pitzer.dat, using data at 25°C from Hemingway - and Robie (1994) and 50-175°C from Bénézeth et al. (2018), GCA + phreeqc.dat and pitzer.dat, using data at 25�C from Hemingway + and Robie (1994) and 50-175�C from B�n�zeth et al. (2018), GCA 224, 262-275. ------------- @@ -1793,7 +1793,7 @@ Version 3.4.0: November 9, 2017 (svn 12927) where the first number is the diffusion coeficient at 25 C, and the second number is a damping factor for the temperature correction, as proposed by Smolyakov, according to Anderko and Lencka, - 1997, Ind. Chem. Eng. Res. 36, 1932–1943: + 1997, Ind. Chem. Eng. Res. 36, 1932�1943: Dw(TK) = 9.31e-9 * exp(763 / TK - 763 / 298.15) * TK * 0.89 / (298.15 * viscos). @@ -2041,7 +2041,7 @@ Version 3.3.8: September 13, 2016 (svn 11728) This function identifies all of the kinetic reactants in the current KINETICS definition and returns the sum of moles of all kinetic reactants. Count is number of kinetic - reactants. Name$ contains the kinetic reactant names. Type$ is “kin”. Moles contains the + reactants. Name$ contains the kinetic reactant names. Type$ is �kin�. Moles contains the moles of each kinetic reactant. The chemical formula used in the kinetic reaction can be determined by using a reaction name from Name$ as the first argument of the KINETICS_FORMULA$ Basic function. @@ -3252,11 +3252,11 @@ Version 3.0.0: February 1, 2013 reactions, the nonideal gas formulation of Peng and Robinson, and charting. All features of PHREEQC Version 3 are documented in U.S. Geological Survey - Techniques and Methods 6-A43, “Description of input + Techniques and Methods 6-A43, �Description of input and examples for PHREEQC Version 3--A computer program for speciation, batch-reaction, one- dimensional transport, and inverse geochemical - calculations”, available at + calculations�, available at http://pubs.usgs.gov/tm/06/a43/. Features not previously documented include Pitzer and SIT aqueous models, CD-MUSIC surface complexation, isotopic @@ -4283,12 +4283,12 @@ Version 2.17.0: February 25, 2010 log(K) of an exchange-half reaction depends on the equivalent fraction on the exchanger: - log(K) = log_k + a_f * (1 - ß_i) + log(K) = log_k + a_f * (1 - �_i) where log_k is the log of the equilibrium constant when all the sites are occupied by ion i, a_f is an empirical coefficient, and - ß_i is the equivalent fraction of i. + �_i is the equivalent fraction of i. a_f can be defined in EXCHANGE_SPECIES with -gamma after the WATEQ Debye-Hueckel parameters. @@ -4299,7 +4299,7 @@ Version 2.17.0: February 25, 2010 -gamma 4.0 0.075 0.50 The association constant for NaX becomes: - log(K) = -0.5 + 0.50 * (1 - ß_Na) + log(K) = -0.5 + 0.50 * (1 - �_Na) -------- svn 3453