pyrestoolbox 2.5.0__tar.gz → 2.5.1__tar.gz

{pyrestoolbox-2.5.0/pyrestoolbox.egg-info → pyrestoolbox-2.5.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyrestoolbox
-Version: 2.5.0
+Version: 2.5.1
 Summary: pyResToolbox - A collection of Reservoir Engineering Utilities
 Home-page: https://github.com/mwburgoyne/pyResToolbox
 Author: Mark W. Burgoyne

pyrestoolbox-2.5.1/pyrestoolbox/Garcia_code/brine_properties.py

@@ -0,0 +1,245 @@
+"""
+Brine density correlations for NaCl solutions.
+
+Provides:
+    - rho_brine(T, P, S): brine density in kg/m³ (primary entry point)
+    - rho_brine_spivey(T, P, S): Spivey et al. (modified) from McCain (2011)
+    - rho_brine_bw(T, P, S): Batzle & Wang (1992) correlation (legacy)
+
+Parameters:
+    T: temperature in K
+    P: pressure in MPa
+    S: salinity as weight fraction of NaCl (e.g., 0.1 = 100,000 ppm = 10 wt%)
+
+References:
+    Spivey et al. (modified): McCain, Petroleum Reservoir Fluid Properties,
+        Chapter 4, Eqs. 4.1-4.12. Multi-step thermodynamic approach with
+        reference state at 70 MPa. Used by pyResToolbox.
+    Batzle & Wang (1992): Geophysics 57(11), 1396-1408.
+        Simpler correlation. Valid: 10-350°C, 5-100 MPa, 0-0.3 wt fraction.
+"""
+
+import numpy as np
+from water_properties import rho_w
+
+# =============================================================================
+# Spivey coefficient tables (from pyResToolbox brine.py / McCain Ch.4)
+# =============================================================================
+
+# Rational function form (Eq 4.1): f(t) = (a1*(t/100)^2 + a2*(t/100) + a3) / (a4*(t/100)^2 + a5*(t/100) + 1)
+# Input arrays are [0, a1, a2, a3, a4, a5] (index 0 unused)
+
+_RHOW_T70 = [0, -0.127213, 0.645486, 1.03265, -0.070291, 0.639589]
+_EWT = [0, 4.221, -3.478, 6.221, 0.5182, -0.4405]
+_FWT = [0, -11.403, 29.932, 27.952, 0.20684, 0.3768]
+_DM2T = [0, -0.00011149, 0.000175105, -0.00043766, 0, 0]
+_DM32T = [0, -0.0008878, -0.0001388, -0.00296318, 0, 0.51103]
+_DM1T = [0, 0.0021466, 0.012427, 0.042648, -0.081009, 0.525417]
+_DM12T = [0, 0.0002356, -0.0003636, -0.0002278, 0, 0]
+_EMT = [0, 0, 0, 0.1249, 0, 0]
+_FM32T = [0, -0.617, -0.747, -0.4339, 0, 10.26]
+_FM1T = [0, 0, 9.917, 5.1128, 0, 3.892]
+_FM12T = [0, 0.0365, -0.0369, 0, 0, 0]
+
+
+def _eq41(t_celsius, coeffs):
+    """McCain Eq. 4.1 rational function. t in °C, coeffs = [0, a1..a5]."""
+    t2 = t_celsius / 100.0
+    return (coeffs[1] * t2**2 + coeffs[2] * t2 + coeffs[3]) / \
+           (coeffs[4] * t2**2 + coeffs[5] * t2 + 1.0)
+
+
+def rho_brine_spivey(T, P, S):
+    """
+    Brine density from Spivey et al. (modified) per McCain Ch. 4, Eqs 4.1-4.12.
+
+    This is the same correlation used by pyResToolbox. It uses a thermodynamic
+    reference state at 70 MPa and compressibility-based corrections to compute
+    density at arbitrary (T, P).
+
+    Parameters:
+        T: temperature in K
+        P: pressure in MPa
+        S: salinity as weight fraction of NaCl (0 to ~0.3)
+
+    Returns:
+        brine density in kg/m³
+    """
+    T_C = float(T) - 273.15
+    MPa = float(P)
+    S_val = float(S)
+
+    # Molality from weight fraction: m = 1000*S / (M_NaCl * (1-S))
+    M_NaCl = 58.4428
+    if S_val > 0:
+        wt_pct = S_val  # weight fraction (0-1)
+        m = 1000.0 * wt_pct / (M_NaCl * (1.0 - wt_pct))
+    else:
+        m = 0.0
+
+    # Step 1: Density of pure water at T and 70 MPa reference pressure (g/cm³)
+    rhow_t70 = _eq41(T_C, _RHOW_T70)
+
+    # Step 2: Compressibility coefficients for pure water
+    Ewt = _eq41(T_C, _EWT)
+    Fwt = _eq41(T_C, _FWT)
+
+    # Step 3: Pure water density at (T, P) via compressibility integral
+    Iwt70 = (1.0 / Ewt) * np.log(abs(Ewt + Fwt))              # Eq 4.3
+    Iwtp = (1.0 / Ewt) * np.log(abs(Ewt * (MPa / 70.0) + Fwt))  # Eq 4.4
+    rhowtp = rhow_t70 * np.exp(Iwtp - Iwt70)                   # Eq 4.5
+
+    if m == 0.0:
+        return float(rhowtp) * 1000.0  # g/cm³ → kg/m³
+
+    # Step 4: Salt correction coefficients
+    Dm2t = _eq41(T_C, _DM2T)
+    Dm32t = _eq41(T_C, _DM32T)
+    Dm1t = _eq41(T_C, _DM1T)
+    Dm12t = _eq41(T_C, _DM12T)
+
+    # Step 5: Brine compressibility correction coefficients
+    Emt = _eq41(T_C, _EMT)
+    Fm32t = _eq41(T_C, _FM32T)
+    Fm1t = _eq41(T_C, _FM1T)
+    Fm12t = _eq41(T_C, _FM12T)
+
+    # Brine density at T and 70 MPa (Eq 4.6)
+    rhobt70 = rhow_t70 + Dm2t * m**2 + Dm32t * m**1.5 + Dm1t * m + Dm12t * m**0.5
+
+    # Brine compressibility coefficients (Eqs 4.7-4.8)
+    Ebtm = Ewt + Emt * m
+    Fbtm = Fwt + Fm32t * m**1.5 + Fm1t * m + Fm12t * m**0.5
+
+    # Brine density at (T, P) via compressibility integral (Eqs 4.10-4.12)
+    Ibt70 = (1.0 / Ebtm) * np.log(abs(Ebtm + Fbtm))
+    Ibtpm = (1.0 / Ebtm) * np.log(abs(Ebtm * (MPa / 70.0) + Fbtm))
+    rhobtpm = rhobt70 * np.exp(Ibtpm - Ibt70)  # g/cm³
+
+    return float(rhobtpm) * 1000.0  # g/cm³ → kg/m³
+
+
+def rho_brine_bw(T, P, S):
+    """
+    Brine density from Batzle & Wang (1992) Eq. 27.
+
+    Parameters:
+        T: temperature in K (converted internally to °C)
+        P: pressure in MPa
+        S: salinity as weight fraction of NaCl (0 to ~0.3)
+
+    Returns:
+        brine density in kg/m³
+    """
+    T = np.atleast_1d(np.asarray(T, dtype=float))
+    P = np.atleast_1d(np.asarray(P, dtype=float))
+    S = np.atleast_1d(np.asarray(S, dtype=float))
+
+    T, P, S = np.broadcast_arrays(T, P, S)
+
+    T_C = T - 273.15
+
+    rho_water = np.zeros_like(T_C)
+    for i in np.ndindex(T.shape):
+        rho_water[i] = rho_w(float(T[i]), float(P[i]))
+
+    rho_w_gcc = rho_water / 1000.0
+
+    rho_b_gcc = rho_w_gcc + S * (0.668 + 0.44 * S + 1e-6 * (
+        300.0 * P - 2400.0 * P * S
+        + T_C * (80.0 + 3.0 * T_C - 3300.0 * S - 13.0 * P + 47.0 * P * S)
+    ))
+
+    rho_b = rho_b_gcc * 1000.0
+
+    return float(rho_b) if rho_b.ndim == 0 else rho_b.squeeze()
+
+
+def rho_brine(T, P, S):
+    """
+    Brine density — main entry point.
+
+    Uses Spivey et al. (modified) correlation from McCain (2011).
+
+    Parameters:
+        T: temperature in K
+        P: pressure in MPa
+        S: salinity as weight fraction of NaCl
+
+    Returns:
+        density in kg/m³
+    """
+    return rho_brine_spivey(T, P, S)
+
+
+def rho_water_spivey(T, P):
+    """
+    Pure water density from Spivey correlation (S=0).
+
+    Useful for comparing against IAPWS-95.
+
+    Parameters:
+        T: temperature in K
+        P: pressure in MPa
+
+    Returns:
+        density in kg/m³
+    """
+    return rho_brine_spivey(T, P, 0.0)
+
+
+def salinity_from_ppm(ppm):
+    """Convert salinity from ppm (mg/L ~ mg/kg) to weight fraction."""
+    return ppm / 1e6
+
+
+def salinity_from_molality(m_NaCl):
+    """
+    Convert NaCl molality (mol/kg solvent) to weight fraction.
+
+    S = m * M_NaCl / (1000 + m * M_NaCl)
+    where M_NaCl = 58.44 g/mol
+    """
+    M_NaCl = 58.44
+    return m_NaCl * M_NaCl / (1000.0 + m_NaCl * M_NaCl)
+
+
+if __name__ == "__main__":
+    print("=== Brine Density Validation ===\n")
+
+    T_test = 298.15  # 25°C
+    P_test = 10.0    # 10 MPa
+
+    rho_pure = rho_w(T_test, P_test)
+    rho_pure_spivey = rho_water_spivey(T_test, P_test)
+    print(f"Pure water at T={T_test}K, P={P_test}MPa:")
+    print(f"  IAPWS-95: ρ = {rho_pure:.4f} kg/m³")
+    print(f"  Spivey:   ρ = {rho_pure_spivey:.4f} kg/m³")
+    print(f"  Diff:     {rho_pure_spivey - rho_pure:+.4f} kg/m³")
+
+    print(f"\nBrine density (Spivey vs Batzle-Wang):")
+    print(f"{'S(wt%)':>8} {'Spivey':>10} {'B&W':>10} {'Diff':>8} {'IAPWS_w':>10}")
+    print("-" * 52)
+
+    for S_pct in [0, 1, 3, 5, 10, 15, 20, 25]:
+        S = S_pct / 100.0
+        rho_sp = rho_brine_spivey(T_test, P_test, S)
+        rho_bw = rho_brine_bw(T_test, P_test, S)
+        print(f"{S_pct:8.1f} {rho_sp:10.4f} {rho_bw:10.4f} {rho_sp - rho_bw:+8.4f} {rho_pure:10.4f}")
+
+    # Temperature sweep at 10 wt% NaCl
+    S_10 = 0.10
+    print(f"\n\nBrine density at S=10 wt% NaCl, P=30 MPa:")
+    print(f"{'T(°C)':>6} {'Spivey':>10} {'B&W':>10} {'Diff':>8}")
+    print("-" * 38)
+    for T_C in [25, 50, 100, 150, 200, 250]:
+        T_K = T_C + 273.15
+        rho_sp = rho_brine_spivey(T_K, 30.0, S_10)
+        rho_bw = rho_brine_bw(T_K, 30.0, S_10)
+        print(f"{T_C:6} {rho_sp:10.4f} {rho_bw:10.4f} {rho_sp - rho_bw:+8.4f}")
+
+    # Molality conversion test
+    print(f"\n\nMolality to weight fraction:")
+    for m in [0.5, 1.0, 2.0, 4.0]:
+        S = salinity_from_molality(m)
+        print(f"  {m:.1f} mol/kg → S = {S:.4f} ({S*100:.2f} wt%)")

pyrestoolbox-2.5.1/pyrestoolbox/Garcia_code/garcia_mixing.py

@@ -0,0 +1,390 @@
+"""
+Garcia (2001) density mixing rule for gas-dissolved aqueous solutions.
+
+Single gas (Garcia Eq. 18):
+    ρ = (1 + x2·M2/(M1·x1)) / (x2·V_phi/(M1·x1) + 1/ρ1)
+
+Mixed gas (mole-fraction-weighted):
+    V_phi_eff = Σ yi·V_phi_i
+    M2_eff = Σ yi·M2_i
+    where yi = mole fraction of gas i among dissolved gases (Σyi = 1)
+    Then apply single-gas formula with V_phi_eff, M2_eff.
+
+Brine support:
+    For saline solutions, ρ1 is replaced with ρ_brine from Batzle & Wang (1992).
+    V_phi values remain from the Plyasunov model (Garcia found salinity effects
+    on V_phi are weak and within experimental uncertainty).
+
+Units:
+    T in K, P in MPa, S in weight fraction NaCl
+    x2 = total dissolved gas mole fraction in liquid phase
+    ρ in kg/m³, V_phi in cm³/mol, M in g/mol
+"""
+
+import numpy as np
+from water_properties import rho_w, MW_WATER
+from plyasunov_model import V_phi, gas_mw
+from brine_properties import rho_brine
+
+
+def density_single_gas(gas, x2, T, P, rho1=None, S=0.0):
+    """
+    Solution density with a single dissolved gas using Garcia Eq. 18.
+
+    Parameters:
+        gas: gas name string ('CO2', 'CH4', etc.)
+        x2: mole fraction of dissolved gas in liquid phase
+        T: temperature in K
+        P: pressure in MPa
+        rho1: solvent density in kg/m³ (computed from S if None)
+        S: salinity as weight fraction NaCl (default 0 = pure water)
+
+    Returns:
+        solution density in kg/m³
+    """
+    if rho1 is None:
+        rho1 = rho_brine(T, P, S) if S > 0 else rho_w(T, P)
+
+    if x2 <= 0:
+        return float(rho1)
+
+    x1 = 1.0 - x2
+    M1 = MW_WATER        # g/mol
+    M2 = gas_mw(gas)     # g/mol
+    vphi = V_phi(gas, T, P)  # cm³/mol
+
+    # Garcia Eq. 18: ρ = (1 + x2·M2/(M1·x1)) / (x2·V_phi/(M1·x1) + 1/ρ1)
+    # V_phi is in cm³/mol, M1 in g/mol, ρ1 in kg/m³
+    # Need consistent units: convert V_phi to m³/mol? or ρ1 to g/cm³?
+    #
+    # Work in g/cm³ for clarity:
+    # ρ1_gcc = ρ1 / 1000 [g/cm³]
+    # Then: ρ [g/cm³] = (1 + x2·M2/(M1·x1)) / (x2·V_phi/(M1·x1) + 1/ρ1_gcc)
+    # Convert result back to kg/m³ by multiplying by 1000.
+
+    rho1_gcc = rho1 / 1000.0  # kg/m³ → g/cm³
+
+    numerator = 1.0 + x2 * M2 / (M1 * x1)
+    denominator = x2 * vphi / (M1 * x1) + 1.0 / rho1_gcc
+
+    rho_gcc = numerator / denominator  # g/cm³
+    return rho_gcc * 1000.0  # kg/m³
+
+
+def density_mixed_gas(gas_dict, T, P, rho1=None, S=0.0):
+    """
+    Solution density with multiple dissolved gases.
+
+    Uses mole-fraction-weighted effective V_phi and MW, then applies
+    Garcia Eq. 18 with the effective values.
+
+    Parameters:
+        gas_dict: dict of {gas_name: x2_i} where x2_i is the mole fraction
+                  of that gas in the liquid phase. Sum of all x2_i = total x2.
+        T: temperature in K
+        P: pressure in MPa
+        rho1: solvent density in kg/m³ (computed from S if None)
+        S: salinity as weight fraction NaCl (default 0 = pure water)
+
+    Returns:
+        solution density in kg/m³
+    """
+    if rho1 is None:
+        rho1 = rho_brine(T, P, S) if S > 0 else rho_w(T, P)
+
+    x2_total = sum(gas_dict.values())
+    if x2_total <= 0:
+        return float(rho1)
+
+    # Compute mole-fraction-weighted effective properties
+    # yi = x2_i / x2_total (fraction of gas i among all dissolved gases)
+    vphi_eff = 0.0
+    mw_eff = 0.0
+    for gas, x2_i in gas_dict.items():
+        yi = x2_i / x2_total
+        vphi_eff += yi * V_phi(gas, T, P)
+        mw_eff += yi * gas_mw(gas)
+
+    # Apply Garcia Eq. 18 with effective values
+    x1 = 1.0 - x2_total
+    M1 = MW_WATER
+    rho1_gcc = rho1 / 1000.0
+
+    numerator = 1.0 + x2_total * mw_eff / (M1 * x1)
+    denominator = x2_total * vphi_eff / (M1 * x1) + 1.0 / rho1_gcc
+
+    rho_gcc = numerator / denominator
+    return rho_gcc * 1000.0
+
+
+# ============================================================================
+# VISCOSITY CORRECTION
+# ============================================================================
+#
+# Experimentally-calibrated viscosity corrections for dissolved gases.
+# Each gas uses the best available experimental source:
+#
+#   CO2: Islam & Carlson (2012), Energy Fuels 26(8), 5330-5336
+#        mu = mu_brine * (1 + 4.65 * x_CO2^1.0134)
+#
+#   CH4: Ostermann, Bloori & Dehghani (1985), SPE 14211
+#        Confirmed by Ostermann et al. (1986), SPE 15081
+#        mu_sat/mu_free = 1.109 - 5.98e-4*T + 1.0933e-6*T^2  (T in degF)
+#        NOTE: SPE 14211 prints 1.0933e-5 (TYPO); verified 1.0933e-6 from
+#        stated plateau values (1.060 at 100F, 1.044 at 150F, 1.028 at 250F).
+#        Plateau above ~2000 psi; T-dependent, not mole-fraction-dependent.
+#
+#   H2S: Murphy & Gaines (1974), J. Chem. Eng. Data 19(4), 359-362
+#        mu = mu_brine * (1 + 1.5 * x_H2S^1.0134)
+#        Calibrated from 3-6% increase near saturation at 28-30 degC.
+#        x_H2S at saturation ~ 0.027-0.033 (from S&W VLE at Murphy & Gaines
+#        conditions). Implied 'a' ranges from 1.0 to 2.1 across the 5 data
+#        points (large scatter; authors note the effect is "only slightly more
+#        than experimental error"). Central estimate a=1.5.
+#        Like CH4, effect is strongly T-dependent (nearly zero at 35 degC),
+#        but only 5 data points spanning 28-35 degC — insufficient for a
+#        T-dependent correlation. The constant a=1.5 is conservative at
+#        higher T and approximate at lower T.
+#
+#   C2H6: NO EFFECT — Ostermann et al. (1986) SPE 15081
+#   N2:   NO EFFECT — Murphy & Gaines (1974) control experiment
+#   H2, C3H8, nC4H10: No data — no correction applied (conservative)
+#
+# NOTE: A previous density-based scaling approach (a_i = a_CO2 * drho%_i/drho%_CO2)
+# was found to be fundamentally wrong. It predicted large viscosity DECREASES for
+# CH4 (a=-11.0) and H2S (a=-0.9), but experiments show CH4 INCREASES viscosity
+# by up to 6% and H2S INCREASES by 3-6%. The physical mechanism is hydrophobic
+# hydration — dissolved gas molecules organize water into cage-like structures,
+# increasing structural order and viscosity. This is unrelated to density effects.
+
+_IC_A_CO2 = 4.65       # Islam-Carlson coefficient for CO2
+_IC_A_H2S = 1.50       # Calibrated from Murphy & Gaines (1974), central estimate
+_IC_B = 1.0134         # Islam-Carlson exponent (nearly linear)
+
+# Ostermann (1985) Eq. 10 / (1986) Eq. 7 coefficients for CH4
+# mu_sat/mu_free = c0 + c1*T + c2*T^2  where T in degF
+# NOTE: SPE 14211 prints the quadratic coefficient as 1.0933e-5, but this
+# is a TYPOGRAPHICAL ERROR. Back-calculation from the stated plateau values
+# (1.060 at 100F, 1.044 at 150F, 1.028 at 250F) proves the correct
+# exponent is 10^-6. SPE 15081 prints the linear term as -5.93e-4 (vs
+# -5.98e-4 in SPE 14211); this minor difference does not affect results
+# at the stated precision.
+_OST_C0 = 1.109
+_OST_C1 = -5.98e-4
+_OST_C2 = 1.0933e-6
+
+
+def _ostermann_ch4_plateau(degf):
+    """
+    CH4-saturated water viscosity ratio at plateau (P > ~2000 psi).
+
+    Ostermann et al. (1985) SPE 14211, Eq. 10:
+        mu_sat/mu_free = 1.109 - 5.98e-4*T + 1.0933e-5*T^2
+
+    Validated values: 1.060 at 100 degF, 1.044 at 150 degF, 1.028 at 250 degF.
+    Effect diminishes with temperature but remains positive (>1.0) across
+    the full reservoir temperature range.
+
+    Parameters:
+        degf: temperature in degrees Fahrenheit
+
+    Returns:
+        viscosity ratio mu_sat/mu_free (always >= 1.0)
+    """
+    ratio = _OST_C0 + _OST_C1 * degf + _OST_C2 * degf ** 2
+    return max(ratio, 1.0)
+
+
+def viscosity_correction_single(gas, x2, degf=None):
+    """
+    Viscosity multiplier for a single dissolved gas.
+
+    Uses experimentally-calibrated corrections:
+      - CO2: Islam-Carlson (2012) power-law
+      - CH4: Ostermann (1985) T-dependent plateau (requires degf)
+      - H2S: Calibrated from Murphy & Gaines (1974)
+      - All others: no correction (1.0)
+
+    mu_corrected = mu_brine * viscosity_correction_single(gas, x2, degf)
+
+    Parameters:
+        gas: gas name string ('CO2', 'CH4', 'H2S', etc.)
+        x2: mole fraction of dissolved gas in liquid phase
+        degf: temperature in degrees Fahrenheit (required for CH4)
+
+    Returns:
+        viscosity multiplier (>= 1.0 for all calibrated gases)
+    """
+    if x2 <= 0:
+        return 1.0
+
+    gas = gas.upper()
+
+    if gas == 'CO2':
+        return 1.0 + _IC_A_CO2 * x2 ** _IC_B
+
+    if gas == 'H2S':
+        return 1.0 + _IC_A_H2S * x2 ** _IC_B
+
+    if gas == 'CH4':
+        if degf is None:
+            raise ValueError("degf (temperature) is required for CH4 viscosity correction")
+        # Ostermann plateau value — the full effect at saturation.
+        # The plateau is reached above ~2000 psi CH4 partial pressure.
+        # For typical reservoir conditions (P > 2000 psi), this is appropriate.
+        # For undersaturated conditions, the effect could be scaled by
+        # Rsw/Rsw_sat, but Ostermann's data shows the plateau is reached
+        # at relatively low pressures, so the full correction is used here.
+        return _ostermann_ch4_plateau(degf)
+
+    # C2H6, N2: experimentally confirmed no effect (Ostermann 1986, Murphy & Gaines 1974)
+    # H2, C3H8, NC4H10: no data available — conservative (no correction)
+    return 1.0
+
+
+def viscosity_correction_mixed(gas_dict, degf=None):
+    """
+    Viscosity multiplier for multiple dissolved gases.
+
+    Applies multiplicative corrections:
+        mu = mu_brine * Product_i(correction_i)
+
+    Parameters:
+        gas_dict: dict of {gas_name: x2_i}
+        degf: temperature in degrees Fahrenheit (required if CH4 present)
+
+    Returns:
+        combined viscosity multiplier
+    """
+    factor = 1.0
+    for gas, x2 in gas_dict.items():
+        if x2 > 0:
+            factor *= viscosity_correction_single(gas, x2, degf=degf)
+    return factor
+
+
+def density_change_pct(gas_or_dict, x2_or_none, T, P, S=0.0):
+    """
+    Percentage density change relative to solvent (water or brine).
+
+    Parameters:
+        gas_or_dict: either a gas name string, or a dict {gas: x2_i}
+        x2_or_none: mole fraction if gas_or_dict is a string, None if dict
+        T, P: temperature (K) and pressure (MPa)
+        S: salinity as weight fraction NaCl (default 0 = pure water)
+
+    Returns:
+        (rho_solution, rho_solvent, percent_change)
+    """
+    rho1 = rho_brine(T, P, S) if S > 0 else rho_w(T, P)
+    if isinstance(gas_or_dict, dict):
+        rho_sol = density_mixed_gas(gas_dict=gas_or_dict, T=T, P=P, rho1=rho1)
+    else:
+        rho_sol = density_single_gas(gas_or_dict, x2_or_none, T, P, rho1=rho1)
+    pct = 100.0 * (rho_sol - rho1) / rho1
+    return rho_sol, rho1, pct
+
+
+# ============================================================================
+# MAIN - VALIDATION
+# ============================================================================
+
+if __name__ == "__main__":
+    # Validate against Garcia (2001) CO2 results
+    # Garcia reports ~2.5% density increase at x_CO2 = 0.05
+    print("=== Single Gas Density Tests ===\n")
+
+    T_test = 298.15  # 25°C
+    P_test = 10.0    # 10 MPa (representative reservoir P)
+
+    rho1 = rho_w(T_test, P_test)
+    print(f"Pure water at T={T_test}K, P={P_test}MPa: ρ = {rho1:.4f} kg/m³")
+    print()
+
+    gases = ['CO2', 'CH4', 'H2S', 'N2', 'H2', 'C2H6', 'C3H8', 'NC4H10']
+    x2_test = 0.02  # 2 mol% dissolved gas
+
+    print(f"Dissolved gas mole fraction x2 = {x2_test}")
+    print(f"{'Gas':<8} {'MW':>6} {'V_phi':>8} {'ρ_sol':>10} {'Δρ':>8} {'%change':>8}")
+    print("-" * 55)
+
+    for gas in gases:
+        vphi = V_phi(gas, T_test, P_test)
+        rho_sol = density_single_gas(gas, x2_test, T_test, P_test, rho1=rho1)
+        delta = rho_sol - rho1
+        pct = 100 * delta / rho1
+        mw = gas_mw(gas)
+        print(f"{gas:<8} {mw:6.2f} {vphi:8.2f} {rho_sol:10.4f} {delta:+8.4f} {pct:+7.3f}%")
+
+    # Test: CO2 at x2=0.05 should give ~2.5% increase (Garcia Fig. 3)
+    print(f"\n--- CO2 at x2=0.05 (Garcia reports ~2.5% increase) ---")
+    rho_co2, _, pct_co2 = density_change_pct('CO2', 0.05, T_test, P_test)
+    print(f"  ρ = {rho_co2:.4f} kg/m³, Δρ/ρ = {pct_co2:+.3f}%")
+
+    # Mixed gas test
+    print("\n=== Mixed Gas Test ===\n")
+    gas_mix = {'CO2': 0.01, 'CH4': 0.005, 'H2S': 0.003}
+    rho_mix = density_mixed_gas(gas_mix, T_test, P_test, rho1=rho1)
+    delta_mix = rho_mix - rho1
+    pct_mix = 100 * delta_mix / rho1
+    total_x2 = sum(gas_mix.values())
+    print(f"Gas mix: {gas_mix}")
+    print(f"Total x2 = {total_x2}")
+    print(f"ρ_mix = {rho_mix:.4f} kg/m³, Δρ = {delta_mix:+.4f}, %change = {pct_mix:+.3f}%")
+
+    # Brine tests
+    print("\n=== Brine + Gas Tests ===\n")
+    S_test = 0.10  # 10 wt% NaCl
+    rho_brine_val = rho_brine(T_test, P_test, S_test)
+    print(f"Brine at T={T_test}K, P={P_test}MPa, S={S_test*100}wt%: ρ = {rho_brine_val:.4f} kg/m³")
+    print(f"\nDensity effect of dissolved gas in brine vs pure water (x2=0.02):")
+    print(f"{'Gas':<8} {'ρ(water)':>10} {'Δρ%(w)':>8} {'ρ(brine)':>10} {'Δρ%(b)':>8}")
+    print("-" * 50)
+    for gas in ['CO2', 'CH4', 'H2S', 'N2']:
+        rho_w_sol, rho_w_base, pct_w = density_change_pct(gas, x2_test, T_test, P_test, S=0.0)
+        rho_b_sol, rho_b_base, pct_b = density_change_pct(gas, x2_test, T_test, P_test, S=S_test)
+        print(f"{gas:<8} {rho_w_sol:10.4f} {pct_w:+7.3f}% {rho_b_sol:10.4f} {pct_b:+7.3f}%")
+
+    # Temperature sweep for CO2
+    print("\n=== CO2 Density vs Temperature (x2=0.02, P=30 MPa) ===\n")
+    print(f"{'T(°C)':<8} {'ρ_water':>10} {'ρ_CO2aq':>10} {'Δρ%':>8}")
+    print("-" * 40)
+    for T_C in [25, 50, 100, 150, 200, 250]:
+        T_K = T_C + 273.15
+        rho_w_val = rho_w(T_K, 30.0)
+        rho_sol_val = density_single_gas('CO2', 0.02, T_K, 30.0, rho1=rho_w_val)
+        pct_val = 100 * (rho_sol_val - rho_w_val) / rho_w_val
+        print(f"{T_C:<8} {rho_w_val:10.4f} {rho_sol_val:10.4f} {pct_val:+7.3f}%")
+
+    # ================================================================
+    # VISCOSITY VALIDATION
+    # ================================================================
+    print("\n=== Viscosity Correction Tests ===\n")
+
+    # CO2: Islam-Carlson (2012) at x=0.02
+    co2_vis = viscosity_correction_single('CO2', 0.02)
+    print(f"CO2 at x=0.02: factor = {co2_vis:.6f} (expected ~1.09)")
+
+    # H2S: Murphy & Gaines calibrated (a=0.8)
+    h2s_vis_005 = viscosity_correction_single('H2S', 0.05)
+    h2s_vis_020 = viscosity_correction_single('H2S', 0.20)
+    print(f"H2S at x=0.05: factor = {h2s_vis_005:.6f} (expect ~+4% increase)")
+    print(f"H2S at x=0.20: factor = {h2s_vis_020:.6f} (expect ~+15.5%)")
+
+    # CH4: Ostermann plateau values
+    print("\nCH4 Ostermann plateau vs temperature:")
+    print(f"  {'T(degF)':<10} {'Plateau':>10} {'Expected':>10}")
+    print(f"  {'-'*32}")
+    for degf, expected in [(100, 1.060), (150, 1.044), (250, 1.028)]:
+        plateau = _ostermann_ch4_plateau(degf)
+        print(f"  {degf:<10} {plateau:10.4f} {expected:10.3f}")
+
+    # Gases with no effect
+    print(f"\nC2H6 at x=0.02: factor = {viscosity_correction_single('C2H6', 0.02):.4f} (expect 1.0)")
+    print(f"N2 at x=0.02:   factor = {viscosity_correction_single('N2', 0.02):.4f} (expect 1.0)")
+    print(f"H2 at x=0.02:   factor = {viscosity_correction_single('H2', 0.02):.4f} (expect 1.0)")
+
+    # Mixed gas test
+    gas_mix_v = {'CO2': 0.01, 'CH4': 0.005, 'H2S': 0.003}
+    mixed_vis = viscosity_correction_mixed(gas_mix_v, degf=150)
+    print(f"\nMixed viscosity ({gas_mix_v}, T=150F): factor = {mixed_vis:.6f}")