Phase diversity in an adsorption model of an additive binary gas mixture for all sets of lateral interactions

Abstract

Complete analysis of phase behavior of an adsorption model of a binary gas mixture on a square lattice was carried out for all possible sets of lateral interactions between nearest adsorbed molecules of the same type and no interaction between adsorbed molecules of different types. The model was completely investigated in the ground state, and it was shown that the phase behavior of the system is conserved at finite temperatures by means of a transfer matrix method.

Complete catalog of ground-state diagrams for the general three-state lattice-gas model with nearest-neighbor interactions on a square lattice

“…From Eq. (7) we note that p i = +1 means c A i = 1 and c B i = 0, and opposite for p i = −1. The macroscopic densities conjugate to the fields H and −D are the magnetization P = N −1 i p i and the quadrupole moment Q = N −1 i q i , respectively.…”

“…The spin representation has been used to describe magnetic or dielectric systems with local triplet states [5] or the λ transition in He 3 -He 4 mixtures [6]. In its LG form, the model has been used extensively to study two-component adsorption at solid-gas [7] and solid-liquid [8][9][10] interfaces, as well as spatially complex mixtures of protons, neutrons, and voids ("nuclear pasta") thought to exist in the inner crust of neutron stars [11].…”

“…For the simpler, two-dimensional square lattice, ground-state diagrams for a related LG model with nearest-and next-nearest neighbor repulsive interactions were obtained by Huckaby and Kowalski [13]. Very recently, Fefelov et al presented the six possible phase diagrams for the three-state LG model in the special case of vanishing interactions between particles of opposite kinds, representing an additive gas mixture [7].…”

SuSMoST: Surface Science Modeling and Simulation Toolkit

“…There are lattice models of various degrees of abstraction: Langmuir adsorption model, hard disks, [6,7] dimers, [8][9][10][11] k-mers, [12,13] binary gasses, [14][15][16][17][18] molecules of various symmetry, [19][20][21][22][23] tricarboxylic [24][25][26][27] acids, porphyrins, [28] monoatomic adsobates, [29,30] and so forth. [31,32] In spite of numerous successful applications of lattice models, this kind of simulation is still not a daily tool for surface science researchers.…”

Connection of critical phenomena for Langmuir-Hinshelwood mechanism with the type of adsorbed overlayer phase diagram: square lattice, additive gas mixtures

“…Однако проведенный недавно полный анализ основного состояния МРГ с гамильтонианом (1) на квадратной решетке при ε АВ =0 [7] показал, что разбиение пространства параметров (ε АА , ε ВВ ) на области с различными типами фазовых диаграмм таково, что 6 из 9 наборов энергий взаимодействия (соответствующих условию ε АВ =0) оказываются на границе раздела областей, и внутренность четырех областей из шести оказалась неисследованной [5,6]. Таким образом, представляет несомненный интерес дополнить полученные ранее результаты, проведя исследование структуры области множественности в точках, соответствующих не рассмотренным типам фазовых диаграмм адсорбционного слоя.…”