Shunyaya Symbolic Mathematical Chemistry – Equilibrium-Derived Lenses (4.4B)

Why this page. A dataset-friendly way to turn equilibrium information (K, K_sp, stability constants, cell potentials) into a dimensionless contrast e that preserves classical sign conventions and keeps everything bounded and collapse-safe.

Key idea (sign you can trust).

  • Write the reaction in the forward direction you want to score.
  • Use the equilibrium constant at temperature T (activity-based, dimensionless).
  • Map to contrast so that K > 1 ⇒ e > 0 ⇒ RSI > 0 (forward favored).

What you can plug in (pick the forward form appropriately).

  • Acid–base: dissociations (K_a) and neutralizations.
  • Precipitation / dissolution: K_sp gives precipitation sign via the reverse of dissolution.
  • Complex formation: stability (overall formation) constants β_n.
  • Redox: standard cell potentials (ΔE°) with electrons n.
  • Gas-phase equilibria: K_p built from activities/fugacities.

Practical notes (keep it honest).

  • Prefer activities over raw concentrations; declare any activity corrections (e.g., Debye–Hückel).
  • If environment corrections are uncertain, keep e from standard-state data and let conditions act via the calm gate g_t or small rapidity priors (never modify e with priors).
  • Publish T, E_unit (and units), constants used (R, F), data sources, and rounding policy.

Plain ASCII formulas & examples (copy-ready)

General map (standard state unless declared otherwise)

# Write forward reaction as scored.
DeltaG0 = - R * T * ln(K)
e       = (- DeltaG0) / E_unit = ( R * T * ln(K) ) / E_unit
# R = 8.314462618 J/(mol*K)
# Choose E_unit in J/mol (e.g., 100000 for 100 kJ/mol).
# Sign rule: K > 1  => ln(K) > 0 => e > 0 => RSI > 0.

Common lenses (forward directions as written)

1) Acid–base (dissociation):
   HA -> H+ + A-   with K = K_a
   e_acid = ( R * T * ln(K_a) ) / E_unit
   # Weak acids (small K_a) => e_acid < 0 for dissociation.
   # Neutralization (net ionic): H+ + OH- -> H2O has K ≈ 1/K_w -> large +e.

2) Precipitation / dissolution:
   Dissolution (std):   AB(s) -> A+ + B-   with K = K_sp
   Precipitation forward is reverse of dissolution:
   e_precip = - ( R * T * ln(K_sp) ) / E_unit
   # Small K_sp => ln(K_sp) < 0 => e_precip > 0 (precip favored).

3) Complex formation:
   M + n L -> ML_n   with K = beta_n
   e_form = ( R * T * ln(beta_n) ) / E_unit
   # Large beta_n => e_form > 0 (complex favored).

4) Redox (cell potentials; standard):
   DeltaG0  = - n * F * DeltaE0
   e_redox  = ( n * F * DeltaE0 ) / E_unit_J
   # F = 96485.33212 C/mol
   # E_unit_J is E_unit in J/mol.

5) Gas-phase equilibria (K_p):
   e_gas = ( R * T * ln(K_p) ) / E_unit

Worked micro-examples (T = 298.15 K, E_unit = 100 kJ/mol ⇒ 100000 J/mol)

A) Precipitation (AgCl).  K_sp ≈ 1.8e-10
   e_precip = - ( R * T * ln(1.8e-10) ) / 100000
            ≈ +0.556
   => positive e => Ag+ + Cl- -> AgCl(s) favored.

B) Acid dissociation (acetic acid).  K_a ≈ 1.8e-5
   e_acid = ( R * T * ln(1.8e-5) ) / 100000
          ≈ -0.271
   => negative e => dissociation disfavored at standard state (weak acid).

C) Redox (Zn | Zn2+ || Cu2+ | Cu).  n = 2,  DeltaE0 ≈ 1.103 V
   e_redox = ( 2 * 96485.33212 * 1.103 ) / 100000
           ≈ 2.128
   => positive e => spontaneous in written galvanic direction.

Guards & publication (keep bounded, collapse-safe)

# Alignment map (bounded) and RSI:
a_r = tanh( -c * e )           # clamp so |a| < 1 with eps_a
a_p = tanh( +c * e )
RSI = tanh( (V_p - U_r) / max(W_r, eps_w) )

# Conditions via unified gate:
RSI_env = g_t * RSI            # 0 <= g_t <= 1 ; sign(RSI_env) = sign(RSI)

# Manifest: publish T, E_unit (and E_unit_J if used), R, F, lens choice, sources.


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