The thesis proposes the Molecules of Knowledge (MoK) model for self-organisation of knowledge in knowledge-intensive socio-technical systems. The main contribution is the conception, definition, design, and implementation of the MoK model. The model is based on a chemical metaphor for self-organising coordination, in which coordination laws are interpreted as artificial chemical reactions ruling evolution of the molecules of knowledge living in the system (the information chunks), indirectly coordinating the users working with them. In turn, users may implicitly affect system behaviour with their interactions, according to the cognitive theory of behavioural implicit communication, integrated in MoK. The theory states that any interaction conveys tacit messages that can be suitably interpreted by the coordination model to better support users' workflows. Design and implementation of the MoK model required two other contributions: conception, design, and tuning of the artificial chemical reactions with custom kinetic rates, playing the role of the coordination laws, and development of an infrastructure supporting situated coordination, both in time, space, and w.r.t. the environment, along with a dedicated coordination language.