Estimation of medium effects on equilibrium constants in moderate and high ionic strength solutions at elevated temperatures by using specific interaction theory (SIT): Interaction coefficients involving Cl, OH- and Ac-up to 200°C and 400 bars

Xiong, Yongliang

doi:10.1186/1467-4866-7-4

Table 1 Interaction coefficients involving Cl^-, OH^- and Ac^- evaluated by this study at various temperatures

From: Estimation of medium effects on equilibrium constants in moderate and high ionic strength solutions at elevated temperatures by using specific interaction theory (SIT): Interaction coefficients involving Cl, OH^- and Ac^-up to 200°C and 400 bars

Type of Interaction Coefficient	T, K	Value	2σ of ε	Linearity of Fitting (Square of Linear Correlation Coefficient, R²)	Ionic Strength, m	Pressure	Experimental Data Sources for Evaluation
ε(H⁺, Cl^-)	273.15	0.1292	0.0013	0.9998	0.1–2.0	P_SAT^A	Holmes et al. [24]
	298.15	0.1305	0.0022	0.9990	0.1–6.0	P_SAT	Robinson and Stokes [22]; Greeley et al. [23]; Holmes et al. [24]
	348.15	0.0957	0.0013	0.9996	0.1–2.0	P_SAT	Holmes et al. [24]
	398.15	0.0723	0.0014	0.9993	0.1–2.0	P_SAT	Holmes et al. [24]
	448.15	0.0444	0.0028	0.9921	0.1–2.0	P_SAT	Holmes et al. [24]
	273.15	0.1304	0.0012	0.9998	0.1–2.0	400 bars	Holmes et al. [24]
	298.15	0.1198	0.0010	0.9998	0.1–2.0	400 bars
	348.15	0.0986	0.0007	0.9999	0.1–2.0	400 bars
	398.15	0.0766	0.0007	0.9998	0.1–2.0	400 bars
	448.15	0.0512	0.0013	0.9987	0.1–2.0	400 bars
ε(Na⁺, Cl^-)	273.15	0.0312	0.0028	0.9809	0.5–3.5	P_SAT	Gibbard et al. [25]
	298.15	0.0471	0.0017	0.9932	0.5–6.0	P_SAT
	348.15	0.0467	0.0007	0.9990	0.5–6.0	P_SAT
	373.15	0.0432	0.0005	0.9993	0.5–6.0	P_SAT
	398.15	0.0389	0.0004	0.9996	0.5–6.0	P_SAT
	423.15	0.0338	0.0003	0.9996	0.5–6.0	P_SAT
	448.15	0.0279	0.0005	0.9984	0.5–6.0	P_SAT
	473.15	0.0210	0.0006	0.9964	0.5–6.0	P_SAT
ε(Na⁺, AgCl₂ ^-)	373.15	-0.02	0.03	0.9821	0.5–3.0	P_SAT	Seward [41]
	423.15	-0.05	0.03	0.9807	0.5–3.0	P_SAT
	470.15	-0.07	0.03	0.9832	0.5–3.0	P_SAT
ε(Ag⁺, Cl^-)	373.15	0.08	0.01	0.9842	0.5–3.0	P_SAT	Seward [41]
	423.15	0.11	0.02	0.9825	0.5–3.0	P_SAT
	470.15	0.13	0.02	0.9840	0.5–3.0	P_SAT
ε(Mg²⁺, Cl^-)	273.15	0.232	0.023	0.9959	0.3–6	P_SAT	Holmes and Mesmer [27]
	298.15	0.209	0.022	0.9952	0.3–6	P_SAT
	323.15	0.191	0.020	0.9951	0.3–6	P_SAT
	373.15	0.154	0.019	0.9936	0.3–6	P_SAT
	423.15	0.115	0.018	0.9890	0.3–6	P_SAT
	473.15	0.075	0.037	0.9738	0.3–6	P_SAT
	273.15	0.230	0.024	0.9954	0.3–6	200 bars
	298.15	0.213	0.022	0.9956	0.3–6	200 bars
	323.15	0.194	0.019	0.9960	0.3–6	200 bars
	373.15	0.157	0.019	0.9939	0.3–6	200 bars
	423.15	0.119	0.019	0.9898	0.3–6	200 bars
	473.15	0.078	0.018	0.9781	0.3–6	200 bars
	273.15	0.235	0.024	0.9957	0.3–6	400 bars
	298.15	0.217	0.021	0.9959	0.3–6	400 bars
	323.15	0.198	0.020	0.9958	0.3–6	400 bars
	373.15	0.162	0.019	0.9944	0.3–6	400 bars
	423.15	0.126	0.018	0.9909	0.3–6	400 bars
	473.15	0.087	0.017	0.9824	0.3–6	400 bars
ε(Ca²⁺, Cl^-)	273.15	0.166	0.023	0.9922	0.3–6	P_SAT	Holmes and Mesmer [27]
	298.15	0.161	0.021	0.9936	0.3–6	P_SAT	Robinson and Stokes [22], Holmes and Mesmer [27]
	323.15	0.152	0.017	0.9945	0.3–6	P_SAT	Holmes and Mesmer [27]
	373.15	0.124	0.013	0.9952	0.3–6	P_SAT
	423.15	0.088	0.011	0.9933	0.3–6	P_SAT
	473.15	0.046	0.011	0.9754	0.3–6	P_SAT
	273.15	0.170	0.022	0.9928	0.3–6	200 bars	Holmes and Mesmer [27]
	298.15	0.165	0.019	0.9942	0.3–6	200 bars
	323.15	0.155	0.017	0.9950	0.3–6	200 bars
	373.15	0.127	0.013	0.9955	0.3–6	200 bars
	423.15	0.092	0.011	0.9937	0.3–6	200 bars
	473.15	0.050	0.011	0.9800	0.3–6	200 bars
	273.15	0.175	0.022	0.9934	0.3–6	400 bars	Holmes and Mesmer [27]
	298.15	0.168	0.019	0.9945	0.3–6	400 bars
	323.15	0.158	0.017	0.9954	0.3–6	400 bars
	373.15	0.130	0.013	0.9958	0.3–6	400 bars
	423.15	0.096	0.011	0.9943	0.3–6	400 bars
	473.15	0.055	0.011	0.9834	0.3–6	400 bars
ε(Sr²⁺, Cl^-)	273.15	0.129	0.024	0.9850	0.3–6	P_SAT	Holmes and Mesmer [27]
	298.15	0.134	0.020	0.9902	0.3–6	P_SAT
	323.15	0.131	0.017	0.9926	0.3–6	P_SAT
	373.15	0.107	0.013	0.9935	0.3–6	P_SAT
	423.15	0.069	0.012	0.9878	0.3–6	P_SAT
	473.15	(0.028)^B	0.012	0.9408	0.3–6	P_SAT
	273.15	0.138	0.023	0.9881	0.3–6	200 bars	Holmes and Mesmer [27]
	298.15	0.142	0.019	0.9922	0.3–6	200 bars
	323.15	0.139	0.016	0.9942	0.3–6	200 bars
	373.15	0.115	0.012	0.9953	0.3–6	200 bars
	423.15	0.078	0.010	0.9925	0.3–6	200 bars
	473.15	0.0388	0.0096	0.9765	0.3–6	200 bars
	273.15	0.147	0.022	0.9904	0.3–6	400 bars	Holmes and Mesmer [27]
	298.15	0.150	0.018	0.9937	0.3–6	400 bars
	323.15	0.146	0.015	0.9954	0.3–6	400 bars
	373.15	0.1231	0.011	0.9965	0.3–6	400 bars
	423.15	0.0876	0.0093	0.9953	0.3–6	400 bars
	473.15	0.0507	0.0078	0.9902	0.3–6	400 bars
ε(Ba²⁺, Cl^-)	273.15	0.0645	0.0058	0.9954	0.3–9	P_SAT	Holmes and Mesmer [27]
	298.15	0.0758	0.0048	0.9978	0.3–9	P_SAT
	323.15	0.0737	0.0042	0.9977	0.3–9	P_SAT
	373.15	0.0542	0.0034	0.9971	0.3–9	P_SAT
	423.15	0.0250	0.0030	0.9907	0.3–9	P_SAT
	273.15	0.0694	0.0054	0.9966	0.3–9	200 bars	Holmes and Mesmer [27]
	298.15	0.0795	0.0043	0.9984	0.3–9	200 bars
	323.15	0.0772	0.0037	0.9987	0.3–9	200 bars
	373.15	0.0580	0.0029	0.9986	0.3–9	200 bars
	423.15	0.0299	0.0023	0.9966	0.3–9	200 bars
	273.15	0.0740	0.0051	0.9974	0.3–9	400 bars	Holmes and Mesmer 27
	298.15	0.0826	0.0040	0.9987	0.3–9	400 bars
	323.15	0.0803	0.0032	0.9991	0.3–9	400 bars
	373.15	0.0618	0.0025	0.9990	0.3–9	400 bars
	423.15	0.0349	0.0018	0.9984	0.3–9	400 bars
ε(Sm³⁺, Cl^-)	278.15	0.237	0.016	0.9934	0.51–6.0	1 bar	Roy et al. [33]
	288.15	0.228	0.015	0.9931	0.51–6.0	1 bar
	298.15	0.211	0.017	0.9902	0.51–6.0	1 bar
	308.15	0.207	0.014	0.9926	0.51–6.0	1 bar
	318.15	0.194	0.014	0.9919	0.51–6.0	1 bar
	328.15	0.180	0.014	0.9907	0.51–6.0	1 bar
	338.15	0.167	0.015	0.9874	0.51–6.0	1 bar
ε(Eu³⁺, Cl^-)	278.15	0.223	0.012	0.9953	0.51–6.0	1 bar	Roy et al. [34]
	288.15	0.225	0.013	0.9945	0.51–6.0	1 bar
	298.15	0.224	0.015	0.9934	0.51–6.0	1 bar
	308.15	0.221	0.015	0.9927	0.51–6.0	1 bar
	318.15	0.219	0.017	0.9908	0.51–6.0	1 bar
	328.15	0.213	0.018	0.9889	0.51–6.0	1 bar
	338.15	0.206	0.019	0.9867	0.51–6.0	1 bar
ε(Gd³⁺, Cl^-)	278.15	0.236	0.014	0.9944	0.51–6.0	1 bar	Roy et al. [28]
	288.15	0.233	0.015	0.9939	0.51–6.0	1 bar
	298.15	0.228	0.015	0.9932	0.51–6.0	1 bar
	308.15	0.222	0.015	0.9926	0.51–6.0	1 bar
	318.15	0.214	0.016	0.9914	0.51–6.0	1 bar
	328.15	0.205	0.017	0.9896	0.51–6.0	1 bar
	338.15	0.195	0.017	0.9883	0.51–6.0	1 bar
ε(GdAc²⁺, Cl^-)	298.15	0.12	0.03	0.9960	0.1–2.0	1 bar	Ding and Wood [36]
	313.15	0.10	0.05	0.9710	0.1–2.0	1 bar
	323.15	0.17	0.03	0.9580	0.1–2.0	1 bar
	333.15	0.13	0.03	0.8794	0.1–2.0	1 bar
ε(Li⁺, OH^-)	273.15	(-0.03)	0.04	0.8826	0.1 to 2.0	P_SAT	Holmes and Mesmer [35]
	298.15	(-0.06)	0.03	0.8666	0.1 to 2.0	P_SAT	Robinson and Stokes [22], Holmes and Mesmer [35]
	323.15	(-0.04)	0.03	0.9138	0.1 to 3.0	P_SAT
	373.15	-0.0443	0.0088	0.9435	0.1 to 5.0	P_SAT
	423.15	-0.07	0.01	0.9571	0.1 to 5.0	P_SAT
	473.15	-0.10	0.02	0.9563	0.1 to 5.0	P_SAT
ε(Na⁺, OH^-)	273.15	0.0536	0.0096	0.9541	0.1 to 5.0	P_SAT	Holmes and Mesmer [35]
	298.15	0.0573	0.0061	0.9832		P_SAT
	323.15	0.0546	0.0042	0.9912		P_SAT
	373.15	0.0392	0.0030	0.9911		P_SAT
	423.15	0.0189	0.0027	0.9449		P_SAT
	473.15	(-0.02)	0.03	0.9130		P_SAT
ε(K⁺, OH^-)	273.15	0.1017	0.0055	0.9956	0.1 to 5.0	P_SAT	Holmes and Mesmer [35]
	298.15	0.0994	0.0039	0.9978		P_SAT
	323.15	0.0859	0.0029	0.9983		P_SAT
	373.15	0.0550	0.0029	0.9959		P_SAT
	423.15	0.0331	0.0039	0.9806		P_SAT
	473.15	(0.0189)	0.0065	0.9115		P_SAT
ε(Cs⁺, OH^-)	273.15	0.1064	0.0065	0.9944	0.1 to 5.0	P_SAT	Holmes and Mesmer [35]
	298.15	0.1061	0.0049	0.9968		P_SAT
	323.15	0.1015	0.0039	0.9978		P_SAT
	373.15	0.0839	0.0039	0.9968		P_SAT
	423.15	0.0615	0.0054	0.9885		P_SAT
	473.15	0.0435	0.0077	0.9745		P_SAT
ε(Sr²⁺, OH^-)	298.15	-0.11	0.02	0.9138	0.2 to 4.0	1 bar	Johnston and Grove [40]
ε(Ba²⁺, OH^-)	298.15	-0.10	0.01	0.8881	0.1 to 4.9	1 bar	Johnston and Grove [40]
ε(Na⁺, Ac^-)	273.15	0.0755	0.0027	0.9999	0.1 to 2.0	1 bar	Partanen and Covington [39]
	283.15	0.0593	0.0030	0.9999	0.1 to 2.0	1 bar	Partanen and Covington [39]
	298.15	0.0399	0.0060	0.9952	0.1 to 5.0	1 bar	Kiss and Urmánczy [37]; Mesmer et al. [38]; Ding and Wood [36]; Partanen and Covington [39]
	313.15	0.03	0.02	0.9816	0.1 to 2.0	1 bar	Ding and Wood (2002) 36; Partanen and Covington [39]
	323.15	0.0304	0.0077	0.9917	0.1 to 5.0	1 bar	Mesmer et al. [38]; Ding and Wood [36]; Partanen and Covington [39]
	348.15	0.0275	0.0068	0.9980	0.1 to 5.0	1 bar	Mesmer et al. [38]
	373.15	0.0155	0.0059	0.9977	0.1 to 5.0	P_SAT	Mesmer et al. [38]
	398.15	0.003	0.006	0.9962	0.1 to 5.0	P_SAT	Mesmer et al. [38]
	423.15	-0.007	0.006	0.9876	0.1 to 5.0	P_SAT	Mesmer et al. [38]
	448.15	-0.0157	0.0089	0.9643	0.1 to 5.0	P_SAT	Mesmer et al. [38]
ε(Ca²⁺, Ac^-)	298.15	-0.04	0.02	0.9619	0.2 to 4.9	1 bar	Johnston and Grove [40]

^A P_SAT : Saturated vapor pressure; ^B Values in parentheses are considered to be less precise because of lower linearity of fitting or larger 2σ.

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