Improving implicit solvent simulations: a Poisson-centric view

An understanding of the solvating effect helps rationalize the relation between solvation and acidity of the compound. In addition, this also explains the relative stability of conjugate bases for compounds with different pKa values. This lesson details, in-depth, the principle of solvating effects. The strength of an acid and the stability of its corresponding conjugate base are determined using pKa values. This observed relationship is a consequence of solvation, which is the interaction...

When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...

When a fluid is in constant acceleration, the pressure and buoyant force equations are modified. Suppose a beaker is placed in an elevator accelerating upward with a constant acceleration, a. In the beaker, assume there is a thin cylinder of height h with an infinitesimal cross-sectional area, ΔS.
The motion of the liquid within this infinitesimal cylinder is considered to obtain the pressure difference. Three vertical forces act on this liquid:

Consider a binary electrolyte AB with a concentration ‘c’ that reversibly dissociates into its constituent ions. The degree of this dissociation is represented by ⍺. This means that the equilibrium concentration of each ionic species can be expressed as ⍺c. As well as this, the fraction of the electrolyte that remains undissociated at equilibrium is given by (1−⍺). The corresponding equilibrium concentration for this undissociated portion is then calculated as (1−⍺)c. For such solutions,...

Newtonian fluids exhibit a constant viscosity, meaning their shear stress and shear strain rate are directly proportional. This property ensures a predictable and stable response to applied forces, maintaining a linear relationship between force and flow. Examples include water, air, and light oils, consistently demonstrating this proportional behavior regardless of external conditions.
A velocity gradient forms within the fluid when a Newtonian fluid is placed between two parallel plates, with...

To calculate the flow rate for a trapezoidal channel, first, identify the bottom width, side slope, and flow depth of the channel. The cross-sectional area (A) corresponding to the depth of flow (y), channel bottom width (B), and side slope (θ) is determined by:Next, calculate the wetted perimeter, which includes the bottom width and the sloped side lengths in contact with the water. Using the values of the cross-sectional area and the wetted perimeter, determine the hydraulic radius by...