A comparison of the molecular orbital (ab initio, CNDO and EHT) methods applied to the conformational study of thiocarbonohydrazide in its basic and diprotonated forms

Conformational preferences of thiocarbonohydrazide (H2NNHCSNHNH2) in its basic and N,N′-diprotonated forms are examined by calculating the barrier to internal rotation around the C---N bonds, using the theoretical LCAO—MO (ab initio and semiempirical CNDO and EHT) methods. The calculated and experimental results are compared with each other and also with values for N,N′-dimethylthiourea which is isoelectronic with thiocarbonohydrazide. The suitability of these methods for studying rotational isomerism seems suspect when lone pair interactions are present.

Helicopter blade flapping with and without small angle assumption in the presence of dynamic stall

The flapping equation for a rotating rigid helicopter blade is typically derived by considering (1)small flap angle, (2) small induced angle of attack and (3) linear aerodynamics. However, the use of nonlinear aerodynamics such as dynamic stall can make the assumptions of small angles suspect as shown in this paper. A general equation describing helicopter blade flap dynamics for large flap angle and large induced inflow angle of attack is derived. A semi-empirical dynamic stall aerodynamics model (ONERA model) is used. Numerical simulations are performed by solving the nonlinear flapping ordinary differential equation for steady state conditions and the validity of the small angle approximations are examined. It is shown that the small flapping assumption, and to a lesser extent, the small induced angle ofattack assumption, can lead to inaccurate predictions of the blade flap response in certain flight conditions for some rotors when nonlinear aerodynamics is considered. (C) 2010 Elsevier Inc. All rights reserved.