Add parameters for adsorbed molecules

[lipelopesoliveira]

This PR updates the Force Field parameters to fix existent erros (as reported in #10) and to include new parameters.

Fixed erros

• Some bond assignments on the molecules definitions.

New parameters

The SPC/E water molecule was added to both UFF and DREIDING.

The Critical parameters was taken from

WEISS, Volker C. Corresponding-states behavior of SPC/E-based modified (bent and hybrid) water models. The Journal of Chemical Physics, 2017, vol. 146, no 5.

The $\omega$ was calculated manually using the expression

$$ \omega = -log_{10}(p_r^{sat}) - 1, \quad T_r =0.7 $$

where $p_r^{sat} = p^{sat}/p^c$ with the saturation pressure calculated at T = 436.1 K, corresponding to $T_r = T/ T^c = 0.7$

The $p^{sat}$ was calculated using the Antoine equation

$$ ln(p^{sat}) = A + \frac{B}{T+C} $$

withe the parameters A = 12.9162887916027, B = 4839.969763899371, C = -20.943781373080583 obtained from the fit of the Antoine equation on the data presented in the Table S1 from the paper.